6-methyl-2-(sulfanylmethyl)-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylic acid

Systemtic Name: 6-methyl-2-(sulfanylmethyl)-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylic acid Openeye Name: 6-methyl-2-(sulfanylmethyl)-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylic acid CAS Name: 2-(mercaptomethyl)-6-methyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylic acid IUPAC Name: 6-methyl-2-(sulfanylmethyl)-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylic acid Traditional Name: 2-(mercaptomethyl)-6-methyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylic acid Formula: C15H14F3NO2S MolecularWeight: 329.33737

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(C(=C(N1)CS)C(=O)O)C2=CC=CC=C2C(F)(F)F

Isomeric SMILES

CC1=CC(C(=C(N1)CS)C(=O)O)C2=CC=CC=C2C(F)(F)F

InChI

InChI=1S/C15H14F3NO2S/c1-8-6-10(13(14(20)21)12(7-22)19-8)9-4-2-3-5-11(9)15(16,17)18/h2-6,10,19,22H,7H2,1H3,(H,20,21)