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

Systemtic Name: 2-methylpropyl (2S,3S)-3-acetyloxy-5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepine-7-carboxylate Openeye Name: isobutyl (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 2-methylpropyl ester IUPAC Name: 2-methylpropyl (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 isobutyl ester Formula: C27H34N2O6S MolecularWeight: 514.63366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)COC(=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/c1-17(2)16-34-27(32)20-9-12-23-22(15-20)29(14-13-28(4)5)26(31)24(35-18(3)30)25(36-23)19-7-10-21(33-6)11-8-19/h7-12,15,17,24-25H,13-14,16H2,1-6H3/t24-,25+/m1/s1