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

Systemtic Name: ethyl 2-oxidanylidene-4-thiophen-2-yl-6-[[[3-(trifluoromethyl)phenyl]amino]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 2-oxo-4-(2-thienyl)-6-[[3-(trifluoromethyl)anilino]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 2-oxo-4-thiophen-2-yl-6-[[3-(trifluoromethyl)anilino]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 2-oxo-4-thiophen-2-yl-6-[[3-(trifluoromethyl)anilino]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 2-keto-4-(2-thienyl)-6-[[3-(trifluoromethyl)anilino]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C19H18F3N3O3S MolecularWeight: 425.42473

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CS2)CNC3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CS2)CNC3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C19H18F3N3O3S/c1-2-28-17(26)15-13(24-18(27)25-16(15)14-7-4-8-29-14)10-23-12-6-3-5-11(9-12)19(20,21)22/h3-9,16,23H,2,10H2,1H3,(H2,24,25,27)