[2-(4-methyl-2-oxidanylidene-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxidanylidene-ethyl] 2-methylsulfanylbenzoate

Systemtic Name: [2-(4-methyl-2-oxidanylidene-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxidanylidene-ethyl] 2-methylsulfanylbenzoate Openeye Name: [2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxo-ethyl] 2-methylsulfanylbenzoate CAS Name: 2-(methylthio)benzoic 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-methylsulfanylbenzoate Traditional Name: 2-(methylthio)benzoic acid [2-keto-2-(2-keto-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)ethyl] ester Formula: C20H20N2O4S MolecularWeight: 384.4488

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NC2=CC=CC=C2N1C(=O)COC(=O)C3=CC=CC=C3SC

Isomeric SMILES

CC1CC(=O)NC2=CC=CC=C2N1C(=O)COC(=O)C3=CC=CC=C3SC

InChI

InChI=1S/C20H20N2O4S/c1-13-11-18(23)21-15-8-4-5-9-16(15)22(13)19(24)12-26-20(25)14-7-3-6-10-17(14)27-2/h3-10,13H,11-12H2,1-2H3,(H,21,23)