methyl 4-methyl-2-[2-(trifluoromethyl)phenyl]-2,5-dihydro-1,5-benzothiazepine-3-carboxylate

Systemtic Name: methyl 4-methyl-2-[2-(trifluoromethyl)phenyl]-2,5-dihydro-1,5-benzothiazepine-3-carboxylate Openeye Name: methyl 4-methyl-2-[2-(trifluoromethyl)phenyl]-2,5-dihydro-1,5-benzothiazepine-3-carboxylate CAS Name: 4-methyl-2-[2-(trifluoromethyl)phenyl]-2,5-dihydro-1,5-benzothiazepine-3-carboxylic acid methyl ester IUPAC Name: methyl 4-methyl-2-[2-(trifluoromethyl)phenyl]-2,5-dihydro-1,5-benzothiazepine-3-carboxylate Traditional Name: 4-methyl-2-[2-(trifluoromethyl)phenyl]-2,5-dihydro-1,5-benzothiazepine-3-carboxylic acid methyl ester Formula: C19H16F3NO2S MolecularWeight: 379.39605

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(SC2=CC=CC=C2N1)C3=CC=CC=C3C(F)(F)F)C(=O)OC

Isomeric SMILES

CC1=C(C(SC2=CC=CC=C2N1)C3=CC=CC=C3C(F)(F)F)C(=O)OC

InChI

InChI=1S/C19H16F3NO2S/c1-11-16(18(24)25-2)17(26-15-10-6-5-9-14(15)23-11)12-7-3-4-8-13(12)19(20,21)22/h3-10,17,23H,1-2H3