Methyl 4-({[(3Z)-3-(3-ethyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)-2-oxo-2,3-dihydro-1H-indol-1-YL]acetyl}amino)benzoate
Basic information
- CAS
609797-30-0- Standard SMILES
CCN1C(=O)/C(=C2/C(=O)N(CC(=O)Nc3ccc(C(=O)OC)cc3)c3ccccc32)SC1=S- InChIKey
NGSUIZHBOGGGLK-HNENSFHCSA-N- Molecular formula
- C23H19N3O5S2
- Average molar mass
- 481.5 g/mol
- Monoisotopic mass
- 481.07661306
Names & identifiers
- Preferred name
- Methyl 4-({[(3Z)-3-(3-ethyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)-2-oxo-2,3-dihydro-1H-indol-1-YL]acetyl}amino)benzoate
- IUPAC
- methyl 4-[[2-[(3Z)-3-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-2-oxoindol-1-yl]acetyl]amino]benzoate
- English name
- SALOR-INT L435821-1EA
- Molecular formula
- C23H19N3O5S2
- Molecular weight
- 481.54
Names & synonyms
methyl 4-({[(3Z)-3-(3-ethyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)-2-oxo-2,3-dihydro-1H-indol-1-yl]acetyl}amino)benzoateMETHYL 4-((((3Z)-3-(3-ETHYL-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-5-YLIDENE)-2-OXO-2,3-DIHYDRO-1H-INDOL-1-YL)ACETYL)AMINO)BENZOATERefChem:815718609797-30-0646-185-7STK880597AKOS002194655SALOR-INT L435821-1EAMETHYL 4-(([(3Z)-3-(3-ETHYL-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-5-YLIDENE)-2-OXO-2,3-DIHYDRO-1H-INDOL-1-YL]ACETYL)AMINO)BENZOATE
Database identifiers
- CAS
609797-30-0- PubChem CID
- 6076397
- EC Number
- 646-185-7
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 153 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 897
Physicochemical properties
- Symbol(GHS)
- 9 · GHS09
- Signal word
- Warning
- Hazard statements
- 400 · H400
- Precautionary statements
- 273 · P273-P391-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
P273, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAquatic Acute 1 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS09
- Hazard statements
- H400
- Precautionary statements
- P273-P391-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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