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

Systemtic Name: methyl (4S)-6-methyl-2-sulfanylidene-4-[4-(trifluoromethyloxy)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: methyl (4S)-6-methyl-2-thioxo-4-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-6-methyl-2-sulfanylidene-4-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (4S)-6-methyl-2-sulfanylidene-4-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-6-methyl-2-thioxo-4-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester Formula: C14H13F3N2O3S MolecularWeight: 346.32483

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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)OC

Isomeric SMILES

CC1=C([C@@H](NC(=S)N1)C2=CC=C(C=C2)OC(F)(F)F)C(=O)OC

InChI

InChI=1S/C14H13F3N2O3S/c1-7-10(12(20)21-2)11(19-13(23)18-7)8-3-5-9(6-4-8)22-14(15,16)17/h3-6,11H,1-2H3,(H2,18,19,23)/t11-/m0/s1