prop-2-enyl 6-(4-cyano-2-methylsulfanyl-phenyl)-4-methyl-2-oxidanylidene-3-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: prop-2-enyl 6-(4-cyano-2-methylsulfanyl-phenyl)-4-methyl-2-oxidanylidene-3-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carboxylate Openeye Name: allyl 6-(4-cyano-2-methylsulfanyl-phenyl)-4-methyl-2-oxo-3-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-[4-cyano-2-(methylthio)phenyl]-4-methyl-2-oxo-3-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 6-(4-cyano-2-methylsulfanylphenyl)-4-methyl-2-oxo-3-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-[4-cyano-2-(methylthio)phenyl]-2-keto-4-methyl-3-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carboxylic acid allyl ester Formula: C24H20F3N3O3S MolecularWeight: 487.49411

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1C2=CC=CC(=C2)C(F)(F)F)C3=C(C=C(C=C3)C#N)SC)C(=O)OCC=C

Isomeric SMILES

CC1=C(C(NC(=O)N1C2=CC=CC(=C2)C(F)(F)F)C3=C(C=C(C=C3)C#N)SC)C(=O)OCC=C

InChI

InChI=1S/C24H20F3N3O3S/c1-4-10-33-22(31)20-14(2)30(17-7-5-6-16(12-17)24(25,26)27)23(32)29-21(20)18-9-8-15(13-28)11-19(18)34-3/h4-9,11-12,21H,1,10H2,2-3H3,(H,29,32)