[2-(4-methyl-2-oxidanylidene-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxidanylidene-ethyl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate

Systemtic Name: [2-(4-methyl-2-oxidanylidene-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxidanylidene-ethyl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate Openeye Name: [2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxo-ethyl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate CAS Name: 3-[(4-ethoxyphenyl)sulfonylamino]propanoic 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] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate Traditional Name: 3-(p-phenetylsulfonylamino)propionic acid [2-keto-2-(2-keto-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)ethyl] ester Formula: C23H27N3O7S MolecularWeight: 489.54138

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OCC(=O)N2C(CC(=O)NC3=CC=CC=C32)C

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OCC(=O)N2C(CC(=O)NC3=CC=CC=C32)C

InChI

InChI=1S/C23H27N3O7S/c1-3-32-17-8-10-18(11-9-17)34(30,31)24-13-12-23(29)33-15-22(28)26-16(2)14-21(27)25-19-6-4-5-7-20(19)26/h4-11,16,24H,3,12-15H2,1-2H3,(H,25,27)