methyl 5-(2-chlorophenyl)-2-sulfanylidene-1,4-benzodiazepine-7-carboxylate

Systemtic Name: methyl 5-(2-chlorophenyl)-2-sulfanylidene-1,4-benzodiazepine-7-carboxylate Openeye Name: methyl 5-(2-chlorophenyl)-2-thioxo-1,4-benzodiazepine-7-carboxylate CAS Name: 5-(2-chlorophenyl)-2-sulfanylidene-1,4-benzodiazepine-7-carboxylic acid methyl ester IUPAC Name: methyl 5-(2-chlorophenyl)-2-sulfanylidene-1,4-benzodiazepine-7-carboxylate Traditional Name: 5-(2-chlorophenyl)-2-thioxo-1,4-benzodiazepine-7-carboxylic acid methyl ester Formula: C17H11ClN2O2S MolecularWeight: 342.79944

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(N=CC(=S)N=C2C=C1)C3=CC=CC=C3Cl

Isomeric SMILES

COC(=O)C1=CC2=C(N=CC(=S)N=C2C=C1)C3=CC=CC=C3Cl

InChI

InChI=1S/C17H11ClN2O2S/c1-22-17(21)10-6-7-14-12(8-10)16(19-9-15(23)20-14)11-4-2-3-5-13(11)18/h2-9H,1H3