3-methyl-7-(trifluoromethyl)-1,2,3,5-tetrahydro-4,1-benzothiazepine

Systemtic Name: 3-methyl-7-(trifluoromethyl)-1,2,3,5-tetrahydro-4,1-benzothiazepine Openeye Name: 3-methyl-7-(trifluoromethyl)-1,2,3,5-tetrahydro-4,1-benzothiazepine CAS Name: 3-methyl-7-(trifluoromethyl)-1,2,3,5-tetrahydro-4,1-benzothiazepine IUPAC Name: 3-methyl-7-(trifluoromethyl)-1,2,3,5-tetrahydro-4,1-benzothiazepine Traditional Name: 3-methyl-7-(trifluoromethyl)-1,2,3,5-tetrahydro-4,1-benzothiazepine Formula: C11H12F3NS MolecularWeight: 247.27989

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Descriptors Computed from Structure

Canonical SMILES:

CC1CNC2=C(CS1)C=C(C=C2)C(F)(F)F

Isomeric SMILES

CC1CNC2=C(CS1)C=C(C=C2)C(F)(F)F

InChI

InChI=1S/C11H12F3NS/c1-7-5-15-10-3-2-9(11(12,13)14)4-8(10)6-16-7/h2-4,7,15H,5-6H2,1H3