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

Systemtic Name: methyl 7-methylsulfanyl-2-oxidanylidene-1,3-dihydro-1,4-benzodiazepine-5-carboxylate Openeye Name: methyl 7-methylsulfanyl-2-oxo-1,3-dihydro-1,4-benzodiazepine-5-carboxylate CAS Name: 7-(methylthio)-2-oxo-1,3-dihydro-1,4-benzodiazepine-5-carboxylic acid methyl ester IUPAC Name: methyl 7-methylsulfanyl-2-oxo-1,3-dihydro-1,4-benzodiazepine-5-carboxylate Traditional Name: 2-keto-7-(methylthio)-1,3-dihydro-1,4-benzodiazepine-5-carboxylic acid methyl ester Formula: C12H12N2O3S MolecularWeight: 264.30028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NCC(=O)NC2=C1C=C(C=C2)SC

Isomeric SMILES

COC(=O)C1=NCC(=O)NC2=C1C=C(C=C2)SC

InChI

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