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

Systemtic Name: ethyl 3-[[1-(2,2-dimethylpropanoyl)-7-methyl-5-[2-(5-methylfuran-2-yl)-2-oxidanylidene-ethyl]-4-oxidanylidene-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoate Openeye Name: ethyl 3-[[1-(2,2-dimethylpropanoyl)-7-methyl-5-[2-(5-methyl-2-furyl)-2-oxo-ethyl]-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoate CAS Name: 3-[[[[1-(2,2-dimethyl-1-oxopropyl)-7-methyl-5-[2-(5-methyl-2-furanyl)-2-oxoethyl]-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]amino]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[1-(2,2-dimethylpropanoyl)-7-methyl-5-[2-(5-methylfuran-2-yl)-2-oxoethyl]-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoate Traditional Name: 3-[[4-keto-5-[2-keto-2-(5-methyl-2-furyl)ethyl]-7-methyl-1-pivaloyl-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoic acid ethyl ester Formula: C32H36N4O7 MolecularWeight: 588.65084

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)NC2CN(C3=C(C=C(C=C3)C)N(C2=O)CC(=O)C4=CC=C(O4)C)C(=O)C(C)(C)C

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)NC2CN(C3=C(C=C(C=C3)C)N(C2=O)CC(=O)C4=CC=C(O4)C)C(=O)C(C)(C)C

InChI

InChI=1S/C32H36N4O7/c1-7-42-29(39)21-9-8-10-22(16-21)33-31(41)34-23-17-36(30(40)32(4,5)6)24-13-11-19(2)15-25(24)35(28(23)38)18-26(37)27-14-12-20(3)43-27/h8-16,23H,7,17-18H2,1-6H3,(H2,33,34,41)