ET 2-(((1-Naphthyloxy)AC)amino)4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Basic information
- CAS
443896-83-1- Standard SMILES
CCOC(=O)c1c(NC(=O)COc2cccc3ccccc23)sc2c1CCCC2- InChIKey
MJTZFJIROHPEGJ-UHFFFAOYSA-N- Molecular formula
- C23H23NO4S
- Average molar mass
- 409.5 g/mol
- Monoisotopic mass
- 409.13477939
Names & identifiers
- Preferred name
- ET 2-(((1-Naphthyloxy)AC)amino)4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
- IUPAC
- ethyl 2-[(2-naphthalen-1-yloxyacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Names & synonyms
ET 2-(((1-NAPHTHYLOXY)AC)AMINO)4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATERefChem:591290655-781-6443896-83-1ethyl 2-{[(1-naphthyloxy)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylateethyl 2-[2-(naphthalen-1-yloxy)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylateAN-329/12810655Ethyl 2-(2-(naphthalen-1-yloxy)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylateethyl 2-[(2-naphthalen-1-yloxyacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylateDTXSID70359815STK056892AKOS000492409
Show more names
ST054771ethyl 2-(2-naphthyloxyacetylamino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbo xylateethyl 2-{[(naphthalen-1-yloxy)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylateEthyl 2-{2-[(naphthalen-1-yl)oxy]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Database identifiers
- CAS
443896-83-1- PubChem CID
- 1010185
- DTXSID
DTXSID70359815- EC Number
- 655-781-6
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 92.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 585
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
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P273, P280, P305+P351+P338, P337+P317, 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. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesEye Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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