[(2R,3R)-2-(4-methoxyphenyl)-7,8-dimethyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepin-3-yl] ethanoate

Systemtic Name: [(2R,3R)-2-(4-methoxyphenyl)-7,8-dimethyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepin-3-yl] ethanoate Openeye Name: [(2R,3R)-2-(4-methoxyphenyl)-7,8-dimethyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-3-yl] acetate CAS Name: acetic acid [(2R,3R)-2-(4-methoxyphenyl)-7,8-dimethyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-3-yl] ester IUPAC Name: [(2R,3R)-2-(4-methoxyphenyl)-7,8-dimethyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-3-yl] acetate Traditional Name: acetic acid [(2R,3R)-4-keto-2-(4-methoxyphenyl)-7,8-dimethyl-3,5-dihydro-2H-1,5-benzothiazepin-3-yl] ester Formula: C20H21NO4S MolecularWeight: 371.45004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)SC(C(C(=O)N2)OC(=O)C)C3=CC=C(C=C3)OC

Isomeric SMILES

CC1=CC2=C(C=C1C)S[C@@H]([C@@H](C(=O)N2)OC(=O)C)C3=CC=C(C=C3)OC

InChI

InChI=1S/C20H21NO4S/c1-11-9-16-17(10-12(11)2)26-19(14-5-7-15(24-4)8-6-14)18(20(23)21-16)25-13(3)22/h5-10,18-19H,1-4H3,(H,21,23)/t18-,19+/m0/s1