methyl 2-oxidanylidene-7-phenylsulfanyl-1,3-dihydro-1,4-benzodiazepine-5-carboxylate

Systemtic Name: methyl 2-oxidanylidene-7-phenylsulfanyl-1,3-dihydro-1,4-benzodiazepine-5-carboxylate Openeye Name: methyl 2-oxo-7-phenylsulfanyl-1,3-dihydro-1,4-benzodiazepine-5-carboxylate CAS Name: 2-oxo-7-(phenylthio)-1,3-dihydro-1,4-benzodiazepine-5-carboxylic acid methyl ester IUPAC Name: methyl 2-oxo-7-phenylsulfanyl-1,3-dihydro-1,4-benzodiazepine-5-carboxylate Traditional Name: 2-keto-7-(phenylthio)-1,3-dihydro-1,4-benzodiazepine-5-carboxylic acid methyl ester Formula: C17H14N2O3S MolecularWeight: 326.36966

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NCC(=O)NC2=C1C=C(C=C2)SC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=NCC(=O)NC2=C1C=C(C=C2)SC3=CC=CC=C3

InChI

InChI=1S/C17H14N2O3S/c1-22-17(21)16-13-9-12(23-11-5-3-2-4-6-11)7-8-14(13)19-15(20)10-18-16/h2-9H,10H2,1H3,(H,19,20)