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

Systemtic Name: propyl (2S,3S)-3-acetyloxy-5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepine-8-carboxylate Openeye Name: propyl (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 propyl ester IUPAC Name: propyl (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 propyl ester Formula: C26H32N2O6S MolecularWeight: 500.60708

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC2=C(C=C1)N(C(=O)C(C(S2)C3=CC=C(C=C3)OC)OC(=O)C)CCN(C)C

Isomeric SMILES

CCCOC(=O)C1=CC2=C(C=C1)N(C(=O)[C@@H]([C@@H](S2)C3=CC=C(C=C3)OC)OC(=O)C)CCN(C)C

InChI

InChI=1S/C26H32N2O6S/c1-6-15-33-26(31)19-9-12-21-22(16-19)35-24(18-7-10-20(32-5)11-8-18)23(34-17(2)29)25(30)28(21)14-13-27(3)4/h7-12,16,23-24H,6,13-15H2,1-5H3/t23-,24+/m1/s1