2,6-dimethyl-5-methylsulfanyl-4-[3-(trifluoromethyloxy)phenyl]-1,4-dihydropyridine-3-carboxylic acid

Systemtic Name: 2,6-dimethyl-5-methylsulfanyl-4-[3-(trifluoromethyloxy)phenyl]-1,4-dihydropyridine-3-carboxylic acid Openeye Name: 2,6-dimethyl-5-methylsulfanyl-4-[3-(trifluoromethoxy)phenyl]-1,4-dihydropyridine-3-carboxylic acid CAS Name: 2,6-dimethyl-5-(methylthio)-4-[3-(trifluoromethoxy)phenyl]-1,4-dihydropyridine-3-carboxylic acid IUPAC Name: 2,6-dimethyl-5-methylsulfanyl-4-[3-(trifluoromethoxy)phenyl]-1,4-dihydropyridine-3-carboxylic acid Traditional Name: 2,6-dimethyl-5-(methylthio)-4-[3-(trifluoromethoxy)phenyl]-1,4-dihydropyridine-3-carboxylic acid Formula: C16H16F3NO3S MolecularWeight: 359.36335

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)SC)C2=CC(=CC=C2)OC(F)(F)F)C(=O)O

Isomeric SMILES

CC1=C(C(C(=C(N1)C)SC)C2=CC(=CC=C2)OC(F)(F)F)C(=O)O

InChI

InChI=1S/C16H16F3NO3S/c1-8-12(15(21)22)13(14(24-3)9(2)20-8)10-5-4-6-11(7-10)23-16(17,18)19/h4-7,13,20H,1-3H3,(H,21,22)