(phenylmethyl) 6-methyl-2-sulfanylidene-4-[4-(trifluoromethyloxy)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: (phenylmethyl) 6-methyl-2-sulfanylidene-4-[4-(trifluoromethyloxy)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: benzyl 6-methyl-2-thioxo-4-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-methyl-2-sulfanylidene-4-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 6-methyl-2-sulfanylidene-4-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-methyl-2-thioxo-4-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid benzyl ester Formula: C20H17F3N2O3S MolecularWeight: 422.42079

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1)C2=CC=C(C=C2)OC(F)(F)F)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(NC(=S)N1)C2=CC=C(C=C2)OC(F)(F)F)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C20H17F3N2O3S/c1-12-16(18(26)27-11-13-5-3-2-4-6-13)17(25-19(29)24-12)14-7-9-15(10-8-14)28-20(21,22)23/h2-10,17H,11H2,1H3,(H2,24,25,29)