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

Systemtic Name: ethyl 4-methylsulfanyl-2-oxidanylidene-1,5-dihydro-1,5-benzodiazepine-3-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C13H14N2O3S MolecularWeight: 278.32686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2O3S/c1-3-18-13(17)10-11(16)14-8-6-4-5-7-9(8)15-12(10)19-2/h4-7,15H,3H2,1-2H3,(H,14,16)