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

Systemtic Name: methyl (4S)-6-propan-2-yl-2-sulfanylidene-4-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: methyl (4S)-6-isopropyl-2-thioxo-4-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-6-propan-2-yl-2-sulfanylidene-4-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (4S)-6-propan-2-yl-2-sulfanylidene-4-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-6-isopropyl-2-thioxo-4-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester Formula: C16H17F3N2O2S MolecularWeight: 358.37859

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(NC(=S)N1)C2=CC=CC=C2C(F)(F)F)C(=O)OC

Isomeric SMILES

CC(C)C1=C([C@@H](NC(=S)N1)C2=CC=CC=C2C(F)(F)F)C(=O)OC

InChI

InChI=1S/C16H17F3N2O2S/c1-8(2)12-11(14(22)23-3)13(21-15(24)20-12)9-6-4-5-7-10(9)16(17,18)19/h4-8,13H,1-3H3,(H2,20,21,24)/t13-/m0/s1