6-methyl-2-sulfanylidene-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-3,5-dicarboxylic acid

Systemtic Name: 6-methyl-2-sulfanylidene-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-3,5-dicarboxylic acid Openeye Name: 6-methyl-2-thioxo-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-3,5-dicarboxylic acid CAS Name: 6-methyl-2-sulfanylidene-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-3,5-dicarboxylic acid IUPAC Name: 6-methyl-2-sulfanylidene-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-3,5-dicarboxylic acid Traditional Name: 6-methyl-2-thioxo-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-3,5-dicarboxylic acid Formula: C14H11F3N2O4S MolecularWeight: 360.30835

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N(C(=S)N1)C(=O)O)C2=CC=CC=C2C(F)(F)F)C(=O)O

Isomeric SMILES

CC1=C(C(N(C(=S)N1)C(=O)O)C2=CC=CC=C2C(F)(F)F)C(=O)O

InChI

InChI=1S/C14H11F3N2O4S/c1-6-9(11(20)21)10(19(13(22)23)12(24)18-6)7-4-2-3-5-8(7)14(15,16)17/h2-5,10H,1H3,(H,18,24)(H,20,21)(H,22,23)