butyl (2S,3S)-3-acetyloxy-5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepine-9-carboxylate

Systemtic Name: butyl (2S,3S)-3-acetyloxy-5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepine-9-carboxylate Openeye Name: butyl (2S,3S)-3-acetoxy-5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepine-9-carboxylate CAS Name: (2S,3S)-3-acetyloxy-5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepine-9-carboxylic acid butyl ester IUPAC Name: butyl (2S,3S)-3-acetyloxy-5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepine-9-carboxylate Traditional Name: (2S,3S)-3-acetoxy-5-(2-dimethylaminoethyl)-4-keto-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepine-9-carboxylic acid butyl ester Formula: C27H34N2O6S MolecularWeight: 514.63366

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=C2C(=CC=C1)N(C(=O)C(C(S2)C3=CC=C(C=C3)OC)OC(=O)C)CCN(C)C

Isomeric SMILES

CCCCOC(=O)C1=C2C(=CC=C1)N(C(=O)[C@@H]([C@@H](S2)C3=CC=C(C=C3)OC)OC(=O)C)CCN(C)C

InChI

InChI=1S/C27H34N2O6S/c1-6-7-17-34-27(32)21-9-8-10-22-25(21)36-24(19-11-13-20(33-5)14-12-19)23(35-18(2)30)26(31)29(22)16-15-28(3)4/h8-14,23-24H,6-7,15-17H2,1-5H3/t23-,24+/m1/s1