ethyl 6-(3-ethoxy-4-oxidanyl-phenyl)-4-methyl-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 6-(3-ethoxy-4-oxidanyl-phenyl)-4-methyl-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 6-(3-ethoxy-4-hydroxy-phenyl)-4-methyl-2-thioxo-3-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-(3-ethoxy-4-hydroxyphenyl)-4-methyl-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(3-ethoxy-4-hydroxyphenyl)-4-methyl-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-(3-ethoxy-4-hydroxy-phenyl)-4-methyl-2-thioxo-3-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C23H23F3N2O4S MolecularWeight: 480.49993

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2C(=C(N(C(=S)N2)C3=CC=CC(=C3)C(F)(F)F)C)C(=O)OCC)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)C2C(=C(N(C(=S)N2)C3=CC=CC(=C3)C(F)(F)F)C)C(=O)OCC)O

InChI

InChI=1S/C23H23F3N2O4S/c1-4-31-18-11-14(9-10-17(18)29)20-19(21(30)32-5-2)13(3)28(22(33)27-20)16-8-6-7-15(12-16)23(24,25)26/h6-12,20,29H,4-5H2,1-3H3,(H,27,33)