[2-(4-methyl-2-oxidanylidene-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxidanylidene-ethyl] 4-ethyl-5-propyl-thiophene-2-carboxylate

Systemtic Name: [2-(4-methyl-2-oxidanylidene-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxidanylidene-ethyl] 4-ethyl-5-propyl-thiophene-2-carboxylate Openeye Name: [2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxo-ethyl] 4-ethyl-5-propyl-thiophene-2-carboxylate CAS Name: 4-ethyl-5-propyl-2-thiophenecarboxylic acid [2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxoethyl] 4-ethyl-5-propylthiophene-2-carboxylate Traditional Name: 4-ethyl-5-propyl-thiophene-2-carboxylic acid [2-keto-2-(2-keto-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)ethyl] ester Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=C(S1)C(=O)OCC(=O)N2C(CC(=O)NC3=CC=CC=C32)C)CC

Isomeric SMILES

CCCC1=C(C=C(S1)C(=O)OCC(=O)N2C(CC(=O)NC3=CC=CC=C32)C)CC

InChI

InChI=1S/C22H26N2O4S/c1-4-8-18-15(5-2)12-19(29-18)22(27)28-13-21(26)24-14(3)11-20(25)23-16-9-6-7-10-17(16)24/h6-7,9-10,12,14H,4-5,8,11,13H2,1-3H3,(H,23,25)