ethyl 2-methyl-4-[[2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanylphenyl]carbonylamino]-1H-1,5-benzodiazepine-3-carboxylate

Systemtic Name: ethyl 2-methyl-4-[[2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanylphenyl]carbonylamino]-1H-1,5-benzodiazepine-3-carboxylate Openeye Name: ethyl 2-methyl-4-[[2-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfanylbenzoyl]amino]-1H-1,5-benzodiazepine-3-carboxylate CAS Name: 2-methyl-4-[[oxo-[2-[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]phenyl]methyl]amino]-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-methyl-4-[[2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzoyl]amino]-1H-1,5-benzodiazepine-3-carboxylate Traditional Name: 4-[[2-[(2-keto-2-pyrrolidino-ethyl)thio]benzoyl]amino]-2-methyl-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester Formula: C26H28N4O4S MolecularWeight: 492.58992

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC2=CC=CC=C2N=C1NC(=O)C3=CC=CC=C3SCC(=O)N4CCCC4)C

Isomeric SMILES

CCOC(=O)C1=C(NC2=CC=CC=C2N=C1NC(=O)C3=CC=CC=C3SCC(=O)N4CCCC4)C

InChI

InChI=1S/C26H28N4O4S/c1-3-34-26(33)23-17(2)27-19-11-5-6-12-20(19)28-24(23)29-25(32)18-10-4-7-13-21(18)35-16-22(31)30-14-8-9-15-30/h4-7,10-13,27H,3,8-9,14-16H2,1-2H3,(H,28,29,32)