ethyl 2-oxidanylidene-4-sulfanyl-1,5-dihydro-1,5-benzodiazepine-3-carboxylate

Systemtic Name: ethyl 2-oxidanylidene-4-sulfanyl-1,5-dihydro-1,5-benzodiazepine-3-carboxylate Openeye Name: ethyl 2-oxo-4-sulfanyl-1,5-dihydro-1,5-benzodiazepine-3-carboxylate CAS Name: 4-mercapto-2-oxo-1,5-dihydro-1,5-benzodiazepine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-oxo-4-sulfanyl-1,5-dihydro-1,5-benzodiazepine-3-carboxylate Traditional Name: 2-keto-4-mercapto-1,5-dihydro-1,5-benzodiazepine-3-carboxylic acid ethyl ester Formula: C12H12N2O3S MolecularWeight: 264.30028

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC2=CC=CC=C2NC1=O)S

Isomeric SMILES

CCOC(=O)C1=C(NC2=CC=CC=C2NC1=O)S

InChI

InChI=1S/C12H12N2O3S/c1-2-17-12(16)9-10(15)13-7-5-3-4-6-8(7)14-11(9)18/h3-6,14,18H,2H2,1H3,(H,13,15)