8-ethoxy-4-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1,5-benzothiazepine-2-carboxylic acid

Systemtic Name: 8-ethoxy-4-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1,5-benzothiazepine-2-carboxylic acid Openeye Name: 8-ethoxy-4-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1,5-benzothiazepine-2-carboxylic acid CAS Name: 8-ethoxy-4-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1,5-benzothiazepine-2-carboxylic acid IUPAC Name: 8-ethoxy-4-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1,5-benzothiazepine-2-carboxylic acid Traditional Name: 8-ethoxy-4-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1,5-benzothiazepine-2-carboxylic acid Formula: C19H16F3NO3S MolecularWeight: 395.39545

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(CC(S2)C(=O)O)C3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(CC(S2)C(=O)O)C3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C19H16F3NO3S/c1-2-26-13-6-7-14-16(9-13)27-17(18(24)25)10-15(23-14)11-4-3-5-12(8-11)19(20,21)22/h3-9,17H,2,10H2,1H3,(H,24,25)