methyl 2-methyl-5-[[7-methyl-5-[2-(2-methylphenyl)-2-oxidanylidene-ethyl]-4-oxidanylidene-1-thiophen-2-ylcarbonyl-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoate

Systemtic Name: methyl 2-methyl-5-[[7-methyl-5-[2-(2-methylphenyl)-2-oxidanylidene-ethyl]-4-oxidanylidene-1-thiophen-2-ylcarbonyl-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoate Openeye Name: methyl 2-methyl-5-[[7-methyl-5-[2-(o-tolyl)-2-oxo-ethyl]-4-oxo-1-(thiophene-2-carbonyl)-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoate CAS Name: 2-methyl-5-[[[[7-methyl-5-[2-(2-methylphenyl)-2-oxoethyl]-4-oxo-1-[oxo(thiophen-2-yl)methyl]-2,3-dihydro-1,5-benzodiazepin-3-yl]amino]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-methyl-5-[[7-methyl-5-[2-(2-methylphenyl)-2-oxoethyl]-4-oxo-1-(thiophene-2-carbonyl)-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoate Traditional Name: 5-[[4-keto-5-[2-keto-2-(o-tolyl)ethyl]-7-methyl-1-(2-thenoyl)-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]-2-methyl-benzoic acid methyl ester Formula: C34H32N4O6S MolecularWeight: 624.70608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(CC(C(=O)N2CC(=O)C3=CC=CC=C3C)NC(=O)NC4=CC(=C(C=C4)C)C(=O)OC)C(=O)C5=CC=CS5

Isomeric SMILES

CC1=CC2=C(C=C1)N(CC(C(=O)N2CC(=O)C3=CC=CC=C3C)NC(=O)NC4=CC(=C(C=C4)C)C(=O)OC)C(=O)C5=CC=CS5

InChI

InChI=1S/C34H32N4O6S/c1-20-11-14-27-28(16-20)38(19-29(39)24-9-6-5-8-21(24)2)31(40)26(18-37(27)32(41)30-10-7-15-45-30)36-34(43)35-23-13-12-22(3)25(17-23)33(42)44-4/h5-17,26H,18-19H2,1-4H3,(H2,35,36,43)