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

Systemtic Name: propyl (2S,3S)-3-acetyloxy-5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepine-9-carboxylate Openeye Name: propyl (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 propyl ester IUPAC Name: propyl (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 propyl ester Formula: C26H32N2O6S MolecularWeight: 500.60708

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=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

CCCOC(=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/C26H32N2O6S/c1-6-16-33-26(31)20-8-7-9-21-24(20)35-23(18-10-12-19(32-5)13-11-18)22(34-17(2)29)25(30)28(21)15-14-27(3)4/h7-13,22-23H,6,14-16H2,1-5H3/t22-,23+/m1/s1