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

Systemtic Name: ethyl 4-[[1-cyclohexyl-4-oxidanylidene-5-(2-oxidanylidene-2-thiophen-2-yl-ethyl)-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoate Openeye Name: ethyl 4-[[1-cyclohexyl-4-oxo-5-[2-oxo-2-(2-thienyl)ethyl]-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoate CAS Name: 4-[[[[1-cyclohexyl-4-oxo-5-(2-oxo-2-thiophen-2-ylethyl)-2,3-dihydro-1,5-benzodiazepin-3-yl]amino]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[1-cyclohexyl-4-oxo-5-(2-oxo-2-thiophen-2-ylethyl)-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoate Traditional Name: 4-[[1-cyclohexyl-4-keto-5-[2-keto-2-(2-thienyl)ethyl]-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoic acid ethyl ester Formula: C31H34N4O5S MolecularWeight: 574.69046

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)NC2CN(C3=CC=CC=C3N(C2=O)CC(=O)C4=CC=CS4)C5CCCCC5

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)NC2CN(C3=CC=CC=C3N(C2=O)CC(=O)C4=CC=CS4)C5CCCCC5

InChI

InChI=1S/C31H34N4O5S/c1-2-40-30(38)21-14-16-22(17-15-21)32-31(39)33-24-19-34(23-9-4-3-5-10-23)25-11-6-7-12-26(25)35(29(24)37)20-27(36)28-13-8-18-41-28/h6-8,11-18,23-24H,2-5,9-10,19-20H2,1H3,(H2,32,33,39)