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

Systemtic Name: ethyl 4-[[7-methyl-4-oxidanylidene-5-(2-oxidanylidene-2-thiophen-2-yl-ethyl)-1-thiophen-2-ylcarbonyl-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoate Openeye Name: ethyl 4-[[7-methyl-4-oxo-5-[2-oxo-2-(2-thienyl)ethyl]-1-(thiophene-2-carbonyl)-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoate CAS Name: 4-[[[[7-methyl-4-oxo-5-(2-oxo-2-thiophen-2-ylethyl)-1-[oxo(thiophen-2-yl)methyl]-2,3-dihydro-1,5-benzodiazepin-3-yl]amino]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[7-methyl-4-oxo-5-(2-oxo-2-thiophen-2-ylethyl)-1-(thiophene-2-carbonyl)-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoate Traditional Name: 4-[[4-keto-5-[2-keto-2-(2-thienyl)ethyl]-7-methyl-1-(2-thenoyl)-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoic acid ethyl ester Formula: C31H28N4O6S2 MolecularWeight: 616.70722

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)NC2CN(C3=C(C=C(C=C3)C)N(C2=O)CC(=O)C4=CC=CS4)C(=O)C5=CC=CS5

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)NC2CN(C3=C(C=C(C=C3)C)N(C2=O)CC(=O)C4=CC=CS4)C(=O)C5=CC=CS5

InChI

InChI=1S/C31H28N4O6S2/c1-3-41-30(39)20-9-11-21(12-10-20)32-31(40)33-22-17-34(29(38)27-7-5-15-43-27)23-13-8-19(2)16-24(23)35(28(22)37)18-25(36)26-6-4-14-42-26/h4-16,22H,3,17-18H2,1-2H3,(H2,32,33,40)