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

Systemtic Name: tert-butyl (4R)-6-methyl-2-sulfanylidene-4-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: tert-butyl (4R)-6-methyl-2-thioxo-4-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4R)-6-methyl-2-sulfanylidene-4-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (4R)-6-methyl-2-sulfanylidene-4-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4R)-6-methyl-2-thioxo-4-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid tert-butyl ester Formula: C17H19F3N2O2S MolecularWeight: 372.40517

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1)C2=CC=CC=C2C(F)(F)F)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C([C@H](NC(=S)N1)C2=CC=CC=C2C(F)(F)F)C(=O)OC(C)(C)C

InChI

InChI=1S/C17H19F3N2O2S/c1-9-12(14(23)24-16(2,3)4)13(22-15(25)21-9)10-7-5-6-8-11(10)17(18,19)20/h5-8,13H,1-4H3,(H2,21,22,25)/t13-/m1/s1