Basic information
- CAS
618391-68-7- Standard SMILES
O=C(Oc1ccc2cc(-c3nc4ccccc4s3)c(=O)oc2c1)C1CC1- InChIKey
SNGJEOBORHKBJO-UHFFFAOYSA-N- Molecular formula
- C20H13NO4S
- Average molar mass
- 363.4 g/mol
- Monoisotopic mass
- 363.05652907
Names & identifiers
- Preferred name
- 3-(1,3-benzothiazol-2-yl)-2-oxo-2H-chromen-7-yl cyclopropanecarboxylate
- IUPAC
- [3-(1,3-benzothiazol-2-yl)-2-oxochromen-7-yl] cyclopropanecarboxylate
- English name
- 3-(1,3-benzothiazol-2-yl)-2-oxo-2H-chromen-7-yl cyclopropanecarboxylate
- Molecular formula
- C20H13NO4S
- Molecular weight
- 363.39
Names & synonyms
618391-68-73-(1,3-benzothiazol-2-yl)-2-oxo-2H-chromen-7-yl cyclopropanecarboxylate3-(benzo[d]thiazol-2-yl)-2-oxo-2H-chromen-7-yl cyclopropanecarboxylate[3-(1,3-benzothiazol-2-yl)-2-oxochromen-7-yl] cyclopropanecarboxylateSTK844955AKOS002180970NCGC00284738-01ST50071305VU0510194-1AB01289245-01F3139-11633-benzothiazol-2-yl-2-oxochromen-7-yl cyclopropanecarboxylate
Show more names
Cyclopropanecarboxylic acid, 3-(2-benzothiazolyl)-2-oxo-2H-1-benzopyran-7-yl ester
Database identifiers
- CAS
618391-68-7- PubChem CID
- 1522872
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 93.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 631
Chemistry & industry
Suppliers4 total
PHARMEKS Ltd.[email protected]
Interbioscreen Ltd.[email protected]
OTAVA-BB[email protected]
VITAS-BB—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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