ethyl 2-oxidanylidene-6-[[3-(trifluoromethyl)phenyl]sulfanylmethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-oxidanylidene-6-[[3-(trifluoromethyl)phenyl]sulfanylmethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 2-oxo-6-[[3-(trifluoromethyl)phenyl]sulfanylmethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 2-oxo-6-[[[3-(trifluoromethyl)phenyl]thio]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 2-oxo-6-[[3-(trifluoromethyl)phenyl]sulfanylmethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 2-keto-6-[[[3-(trifluoromethyl)phenyl]thio]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C15H15F3N2O3S MolecularWeight: 360.35141

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1)CSC2=CC=CC(=C2)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1)CSC2=CC=CC(=C2)C(F)(F)F

InChI

InChI=1S/C15H15F3N2O3S/c1-2-23-13(21)11-7-19-14(22)20-12(11)8-24-10-5-3-4-9(6-10)15(16,17)18/h3-6H,2,7-8H2,1H3,(H2,19,20,22)