[2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxidanylidene-ethyl] 4-(4-ethoxyphenyl)-4-oxidanylidene-butanoate

Systemtic Name: [2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxidanylidene-ethyl] 4-(4-ethoxyphenyl)-4-oxidanylidene-butanoate Openeye Name: [2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxo-ethyl] 4-(4-ethoxyphenyl)-4-oxo-butanoate CAS Name: 4-(4-ethoxyphenyl)-4-oxobutanoic acid [2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxoethyl] 4-(4-ethoxyphenyl)-4-oxobutanoate Traditional Name: 4-keto-4-p-phenetyl-butyric acid [2-keto-2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethyl] ester Formula: C24H27NO5S MolecularWeight: 441.53988

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)CCC(=O)OCC(=O)N2CCC(SC3=CC=CC=C32)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)CCC(=O)OCC(=O)N2CCC(SC3=CC=CC=C32)C

InChI

InChI=1S/C24H27NO5S/c1-3-29-19-10-8-18(9-11-19)21(26)12-13-24(28)30-16-23(27)25-15-14-17(2)31-22-7-5-4-6-20(22)25/h4-11,17H,3,12-16H2,1-2H3