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

Systemtic Name: methyl 4-methylsulfanyl-2-oxidanylidene-1,5-dihydro-1,5-benzodiazepine-3-carboxylate Openeye Name: methyl 4-methylsulfanyl-2-oxo-1,5-dihydro-1,5-benzodiazepine-3-carboxylate CAS Name: 4-(methylthio)-2-oxo-1,5-dihydro-1,5-benzodiazepine-3-carboxylic acid methyl ester IUPAC Name: methyl 4-methylsulfanyl-2-oxo-1,5-dihydro-1,5-benzodiazepine-3-carboxylate Traditional Name: 2-keto-4-(methylthio)-1,5-dihydro-1,5-benzodiazepine-3-carboxylic acid methyl ester Formula: C12H12N2O3S MolecularWeight: 264.30028

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(NC2=CC=CC=C2NC1=O)SC

Isomeric SMILES

COC(=O)C1=C(NC2=CC=CC=C2NC1=O)SC

InChI

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