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

Systemtic Name: 5-ethylsulfanyl-2,6-dimethyl-4-[3-(trifluoromethyloxy)phenyl]-1,4-dihydropyridine-3-carboxylic acid Openeye Name: 5-ethylsulfanyl-2,6-dimethyl-4-[3-(trifluoromethoxy)phenyl]-1,4-dihydropyridine-3-carboxylic acid CAS Name: 5-(ethylthio)-2,6-dimethyl-4-[3-(trifluoromethoxy)phenyl]-1,4-dihydropyridine-3-carboxylic acid IUPAC Name: 5-ethylsulfanyl-2,6-dimethyl-4-[3-(trifluoromethoxy)phenyl]-1,4-dihydropyridine-3-carboxylic acid Traditional Name: 5-(ethylthio)-2,6-dimethyl-4-[3-(trifluoromethoxy)phenyl]-1,4-dihydropyridine-3-carboxylic acid Formula: C17H18F3NO3S MolecularWeight: 373.38993

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(NC(=C(C1C2=CC(=CC=C2)OC(F)(F)F)C(=O)O)C)C

Isomeric SMILES

CCSC1=C(NC(=C(C1C2=CC(=CC=C2)OC(F)(F)F)C(=O)O)C)C

InChI

InChI=1S/C17H18F3NO3S/c1-4-25-15-10(3)21-9(2)13(16(22)23)14(15)11-6-5-7-12(8-11)24-17(18,19)20/h5-8,14,21H,4H2,1-3H3,(H,22,23)