[(2R,3R)-9-chloranyl-2-(4-methoxyphenyl)-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepin-3-yl] ethanoate

Systemtic Name: [(2R,3R)-9-chloranyl-2-(4-methoxyphenyl)-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepin-3-yl] ethanoate Openeye Name: [(2R,3R)-9-chloro-2-(4-methoxyphenyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-3-yl] acetate CAS Name: acetic acid [(2R,3R)-9-chloro-2-(4-methoxyphenyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-3-yl] ester IUPAC Name: [(2R,3R)-9-chloro-2-(4-methoxyphenyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-3-yl] acetate Traditional Name: acetic acid [(2R,3R)-9-chloro-4-keto-2-(4-methoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-3-yl] ester Formula: C18H16ClNO4S MolecularWeight: 377.84194

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(SC2=C(C=CC=C2Cl)NC1=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(=O)O[C@H]1[C@H](SC2=C(C=CC=C2Cl)NC1=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C18H16ClNO4S/c1-10(21)24-15-16(11-6-8-12(23-2)9-7-11)25-17-13(19)4-3-5-14(17)20-18(15)22/h3-9,15-16H,1-2H3,(H,20,22)/t15-,16+/m0/s1