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

Systemtic Name: [(2R,3R)-2-(4-methoxyphenyl)-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepin-3-yl] ethanoate Openeye Name: [(2R,3R)-2-(4-methoxyphenyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-3-yl] acetate CAS Name: acetic acid [(2R,3R)-2-(4-methoxyphenyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-3-yl] ester IUPAC Name: [(2R,3R)-2-(4-methoxyphenyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-3-yl] acetate Traditional Name: acetic acid [(2R,3R)-4-keto-2-(4-methoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-3-yl] ester Formula: C18H17NO4S MolecularWeight: 343.39688

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(SC2=CC=CC=C2NC1=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(=O)O[C@H]1[C@H](SC2=CC=CC=C2NC1=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C18H17NO4S/c1-11(20)23-16-17(12-7-9-13(22-2)10-8-12)24-15-6-4-3-5-14(15)19-18(16)21/h3-10,16-17H,1-2H3,(H,19,21)/t16-,17+/m0/s1