2,6-dimethyl-5-propan-2-ylsulfanyl-4-[3-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylic acid

Systemtic Name: 2,6-dimethyl-5-propan-2-ylsulfanyl-4-[3-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylic acid Openeye Name: 5-isopropylsulfanyl-2,6-dimethyl-4-[3-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylic acid CAS Name: 2,6-dimethyl-5-(propan-2-ylthio)-4-[3-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylic acid IUPAC Name: 2,6-dimethyl-5-propan-2-ylsulfanyl-4-[3-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylic acid Traditional Name: 5-(isopropylthio)-2,6-dimethyl-4-[3-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylic acid Formula: C18H20F3NO2S MolecularWeight: 371.41711

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20F3NO2S/c1-9(2)25-16-11(4)22-10(3)14(17(23)24)15(16)12-6-5-7-13(8-12)18(19,20)21/h5-9,15,22H,1-4H3,(H,23,24)