methyl 2-sulfanylidene-4-thiophen-2-yl-6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: methyl 2-sulfanylidene-4-thiophen-2-yl-6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: methyl 4-(2-thienyl)-2-thioxo-6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 2-sulfanylidene-4-thiophen-2-yl-6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 2-sulfanylidene-4-thiophen-2-yl-6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(2-thienyl)-2-thioxo-6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester Formula: C17H13F3N2O2S2 MolecularWeight: 398.42253

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(NC(=S)NC1C2=CC=CS2)C3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

COC(=O)C1=C(NC(=S)NC1C2=CC=CS2)C3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C17H13F3N2O2S2/c1-24-15(23)12-13(9-4-6-10(7-5-9)17(18,19)20)21-16(25)22-14(12)11-3-2-8-26-11/h2-8,14H,1H3,(H2,21,22,25)