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

Systemtic Name: methyl (6S)-3-cyclopropyl-4-methyl-2-sulfanylidene-6-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl (6S)-3-cyclopropyl-4-methyl-2-thioxo-6-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6S)-3-cyclopropyl-4-methyl-2-sulfanylidene-6-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (6S)-3-cyclopropyl-4-methyl-2-sulfanylidene-6-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6S)-3-cyclopropyl-4-methyl-2-thioxo-6-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C17H17F3N2O2S MolecularWeight: 370.38929

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=C([C@@H](NC(=S)N1C2CC2)C3=CC(=CC=C3)C(F)(F)F)C(=O)OC

InChI

InChI=1S/C17H17F3N2O2S/c1-9-13(15(23)24-2)14(21-16(25)22(9)12-6-7-12)10-4-3-5-11(8-10)17(18,19)20/h3-5,8,12,14H,6-7H2,1-2H3,(H,21,25)/t14-/m0/s1