diethyl 6-methyl-2-sulfanylidene-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-3,5-dicarboxylate

Systemtic Name: diethyl 6-methyl-2-sulfanylidene-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-3,5-dicarboxylate Openeye Name: diethyl 6-methyl-2-thioxo-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-3,5-dicarboxylate CAS Name: 6-methyl-2-sulfanylidene-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 6-methyl-2-sulfanylidene-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-3,5-dicarboxylate Traditional Name: 6-methyl-2-thioxo-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-3,5-dicarboxylic acid diethyl ester Formula: C18H19F3N2O4S MolecularWeight: 416.41467

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=S)N(C1C2=CC=CC=C2C(F)(F)F)C(=O)OCC)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=S)N(C1C2=CC=CC=C2C(F)(F)F)C(=O)OCC)C

InChI

InChI=1S/C18H19F3N2O4S/c1-4-26-15(24)13-10(3)22-16(28)23(17(25)27-5-2)14(13)11-8-6-7-9-12(11)18(19,20)21/h6-9,14H,4-5H2,1-3H3,(H,22,28)