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

Systemtic Name: methyl (6S)-3-phenyl-4-propyl-2-sulfanylidene-6-[2-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl (6S)-3-phenyl-4-propyl-2-thioxo-6-[2-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6S)-3-phenyl-4-propyl-2-sulfanylidene-6-[2-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (6S)-3-phenyl-4-propyl-2-sulfanylidene-6-[2-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6S)-3-phenyl-4-propyl-2-thioxo-6-[2-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C22H21F3N2O2S MolecularWeight: 434.47455

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(NC(=S)N1C2=CC=CC=C2)C3=CC=CC=C3C(F)(F)F)C(=O)OC

Isomeric SMILES

CCCC1=C([C@@H](NC(=S)N1C2=CC=CC=C2)C3=CC=CC=C3C(F)(F)F)C(=O)OC

InChI

InChI=1S/C22H21F3N2O2S/c1-3-9-17-18(20(28)29-2)19(15-12-7-8-13-16(15)22(23,24)25)26-21(30)27(17)14-10-5-4-6-11-14/h4-8,10-13,19H,3,9H2,1-2H3,(H,26,30)/t19-/m0/s1