methyl (2S,3S)-3-acetyloxy-5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepine-8-carboxylate

Systemtic Name: methyl (2S,3S)-3-acetyloxy-5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepine-8-carboxylate Openeye Name: methyl (2S,3S)-3-acetoxy-5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepine-8-carboxylate CAS Name: (2S,3S)-3-acetyloxy-5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepine-8-carboxylic acid methyl ester IUPAC Name: methyl (2S,3S)-3-acetyloxy-5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepine-8-carboxylate Traditional Name: (2S,3S)-3-acetoxy-5-(2-dimethylaminoethyl)-4-keto-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepine-8-carboxylic acid methyl ester Formula: C24H28N2O6S MolecularWeight: 472.55392

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(SC2=C(C=CC(=C2)C(=O)OC)N(C1=O)CCN(C)C)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(=O)O[C@@H]1[C@@H](SC2=C(C=CC(=C2)C(=O)OC)N(C1=O)CCN(C)C)C3=CC=C(C=C3)OC

InChI

InChI=1S/C24H28N2O6S/c1-15(27)32-21-22(16-6-9-18(30-4)10-7-16)33-20-14-17(24(29)31-5)8-11-19(20)26(23(21)28)13-12-25(2)3/h6-11,14,21-22H,12-13H2,1-5H3/t21-,22+/m1/s1