prop-2-enyl 4-methyl-2-sulfanylidene-6-thiophen-3-yl-3-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: prop-2-enyl 4-methyl-2-sulfanylidene-6-thiophen-3-yl-3-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carboxylate Openeye Name: allyl 4-methyl-6-(3-thienyl)-2-thioxo-3-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carboxylate CAS Name: 4-methyl-2-sulfanylidene-6-(3-thiophenyl)-3-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 4-methyl-2-sulfanylidene-6-thiophen-3-yl-3-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 4-methyl-6-(3-thienyl)-2-thioxo-3-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carboxylic acid allyl ester Formula: C20H17F3N2O2S2 MolecularWeight: 438.48639

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1C2=CC=CC(=C2)C(F)(F)F)C3=CSC=C3)C(=O)OCC=C

Isomeric SMILES

CC1=C(C(NC(=S)N1C2=CC=CC(=C2)C(F)(F)F)C3=CSC=C3)C(=O)OCC=C

InChI

InChI=1S/C20H17F3N2O2S2/c1-3-8-27-18(26)16-12(2)25(15-6-4-5-14(10-15)20(21,22)23)19(28)24-17(16)13-7-9-29-11-13/h3-7,9-11,17H,1,8H2,2H3,(H,24,28)