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

Systemtic Name: methyl 2-oxidanylidene-7-propan-2-ylsulfanyl-1,3-dihydro-1,4-benzodiazepine-5-carboxylate Openeye Name: methyl 7-isopropylsulfanyl-2-oxo-1,3-dihydro-1,4-benzodiazepine-5-carboxylate CAS Name: 2-oxo-7-(propan-2-ylthio)-1,3-dihydro-1,4-benzodiazepine-5-carboxylic acid methyl ester IUPAC Name: methyl 2-oxo-7-propan-2-ylsulfanyl-1,3-dihydro-1,4-benzodiazepine-5-carboxylate Traditional Name: 7-(isopropylthio)-2-keto-1,3-dihydro-1,4-benzodiazepine-5-carboxylic acid methyl ester Formula: C14H16N2O3S MolecularWeight: 292.35344

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=CC2=C(C=C1)NC(=O)CN=C2C(=O)OC

Isomeric SMILES

CC(C)SC1=CC2=C(C=C1)NC(=O)CN=C2C(=O)OC

InChI

InChI=1S/C14H16N2O3S/c1-8(2)20-9-4-5-11-10(6-9)13(14(18)19-3)15-7-12(17)16-11/h4-6,8H,7H2,1-3H3,(H,16,17)