ethyl 4-(3-phenoxyphenyl)-2-sulfanylidene-6-(trifluoromethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-(3-phenoxyphenyl)-2-sulfanylidene-6-(trifluoromethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(3-phenoxyphenyl)-2-thioxo-6-(trifluoromethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(3-phenoxyphenyl)-2-sulfanylidene-6-(trifluoromethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(3-phenoxyphenyl)-2-sulfanylidene-6-(trifluoromethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(3-phenoxyphenyl)-2-thioxo-6-(trifluoromethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C20H17F3N2O3S MolecularWeight: 422.42079

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=S)NC1C2=CC(=CC=C2)OC3=CC=CC=C3)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=C(NC(=S)NC1C2=CC(=CC=C2)OC3=CC=CC=C3)C(F)(F)F

InChI

InChI=1S/C20H17F3N2O3S/c1-2-27-18(26)15-16(24-19(29)25-17(15)20(21,22)23)12-7-6-10-14(11-12)28-13-8-4-3-5-9-13/h3-11,16H,2H2,1H3,(H2,24,25,29)