[2-(4-methyl-2-oxidanylidene-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxidanylidene-ethyl] 2-methylsulfanyl-3-phenyl-imidazole-4-carboxylate

Systemtic Name: [2-(4-methyl-2-oxidanylidene-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxidanylidene-ethyl] 2-methylsulfanyl-3-phenyl-imidazole-4-carboxylate Openeye Name: [2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxo-ethyl] 2-methylsulfanyl-3-phenyl-imidazole-4-carboxylate CAS Name: 2-(methylthio)-3-phenyl-4-imidazolecarboxylic acid [2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxoethyl] 2-methylsulfanyl-3-phenylimidazole-4-carboxylate Traditional Name: 2-(methylthio)-3-phenyl-imidazole-4-carboxylic acid [2-keto-2-(2-keto-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)ethyl] ester Formula: C23H22N4O4S MolecularWeight: 450.51018

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NC2=CC=CC=C2N1C(=O)COC(=O)C3=CN=C(N3C4=CC=CC=C4)SC

Isomeric SMILES

CC1CC(=O)NC2=CC=CC=C2N1C(=O)COC(=O)C3=CN=C(N3C4=CC=CC=C4)SC

InChI

InChI=1S/C23H22N4O4S/c1-15-12-20(28)25-17-10-6-7-11-18(17)26(15)21(29)14-31-22(30)19-13-24-23(32-2)27(19)16-8-4-3-5-9-16/h3-11,13,15H,12,14H2,1-2H3,(H,25,28)