[(2R,3R)-5-(2-dimethylaminoethyl)-8-methyl-4-oxidanylidene-2-[4-(trifluoromethyloxy)phenyl]-2,3-dihydro-1,5-benzothiazepin-3-yl] ethanoate

Systemtic Name: [(2R,3R)-5-(2-dimethylaminoethyl)-8-methyl-4-oxidanylidene-2-[4-(trifluoromethyloxy)phenyl]-2,3-dihydro-1,5-benzothiazepin-3-yl] ethanoate Openeye Name: [(2R,3R)-5-(2-dimethylaminoethyl)-8-methyl-4-oxo-2-[4-(trifluoromethoxy)phenyl]-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate CAS Name: acetic acid [(2R,3R)-5-(2-dimethylaminoethyl)-8-methyl-4-oxo-2-[4-(trifluoromethoxy)phenyl]-2,3-dihydro-1,5-benzothiazepin-3-yl] ester IUPAC Name: [(2R,3R)-5-(2-dimethylaminoethyl)-8-methyl-4-oxo-2-[4-(trifluoromethoxy)phenyl]-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate Traditional Name: acetic acid [(2R,3R)-5-(2-dimethylaminoethyl)-4-keto-8-methyl-2-[4-(trifluoromethoxy)phenyl]-2,3-dihydro-1,5-benzothiazepin-3-yl] ester Formula: C23H25F3N2O4S MolecularWeight: 482.51581

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=O)C(C(S2)C3=CC=C(C=C3)OC(F)(F)F)OC(=O)C)CCN(C)C

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=O)[C@H]([C@H](S2)C3=CC=C(C=C3)OC(F)(F)F)OC(=O)C)CCN(C)C

InChI

InChI=1S/C23H25F3N2O4S/c1-14-5-10-18-19(13-14)33-21(16-6-8-17(9-7-16)32-23(24,25)26)20(31-15(2)29)22(30)28(18)12-11-27(3)4/h5-10,13,20-21H,11-12H2,1-4H3/t20-,21+/m0/s1