propan-2-yl 3-cyclopropyl-4-methyl-2-sulfanylidene-6-[2-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: propan-2-yl 3-cyclopropyl-4-methyl-2-sulfanylidene-6-[2-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carboxylate Openeye Name: isopropyl 3-cyclopropyl-4-methyl-2-thioxo-6-[2-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-cyclopropyl-4-methyl-2-sulfanylidene-6-[2-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-cyclopropyl-4-methyl-2-sulfanylidene-6-[2-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-cyclopropyl-4-methyl-2-thioxo-6-[2-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carboxylic acid isopropyl ester Formula: C19H21F3N2O2S MolecularWeight: 398.44245

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1C2CC2)C3=CC=CC=C3C(F)(F)F)C(=O)OC(C)C

Isomeric SMILES

CC1=C(C(NC(=S)N1C2CC2)C3=CC=CC=C3C(F)(F)F)C(=O)OC(C)C

InChI

InChI=1S/C19H21F3N2O2S/c1-10(2)26-17(25)15-11(3)24(12-8-9-12)18(27)23-16(15)13-6-4-5-7-14(13)19(20,21)22/h4-7,10,12,16H,8-9H2,1-3H3,(H,23,27)