butyl (2S,3S)-3-acetyloxy-5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepine-7-carboxylate

Systemtic Name: butyl (2S,3S)-3-acetyloxy-5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepine-7-carboxylate Openeye Name: butyl (2S,3S)-3-acetoxy-5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepine-7-carboxylate CAS Name: (2S,3S)-3-acetyloxy-5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepine-7-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-7-carboxylate Traditional Name: (2S,3S)-3-acetoxy-5-(2-dimethylaminoethyl)-4-keto-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepine-7-carboxylic acid butyl ester Formula: C27H34N2O6S MolecularWeight: 514.63366

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC2=C(C=C1)SC(C(C(=O)N2CCN(C)C)OC(=O)C)C3=CC=C(C=C3)OC

Isomeric SMILES

CCCCOC(=O)C1=CC2=C(C=C1)S[C@H]([C@H](C(=O)N2CCN(C)C)OC(=O)C)C3=CC=C(C=C3)OC

InChI

InChI=1S/C27H34N2O6S/c1-6-7-16-34-27(32)20-10-13-23-22(17-20)29(15-14-28(3)4)26(31)24(35-18(2)30)25(36-23)19-8-11-21(33-5)12-9-19/h8-13,17,24-25H,6-7,14-16H2,1-5H3/t24-,25+/m1/s1