ethyl 3-(3-chloranyl-4-fluoranyl-phenyl)-6-(3-ethoxy-4-oxidanyl-phenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 3-(3-chloranyl-4-fluoranyl-phenyl)-6-(3-ethoxy-4-oxidanyl-phenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-(3-chloro-4-fluoro-phenyl)-6-(3-ethoxy-4-hydroxy-phenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-(3-chloro-4-fluorophenyl)-6-(3-ethoxy-4-hydroxyphenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(3-chloro-4-fluorophenyl)-6-(3-ethoxy-4-hydroxyphenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-(3-chloro-4-fluoro-phenyl)-6-(3-ethoxy-4-hydroxy-phenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C22H22ClFN2O4S MolecularWeight: 464.937483

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22ClFN2O4S/c1-4-29-18-10-13(6-9-17(18)27)20-19(21(28)30-5-2)12(3)26(22(31)25-20)14-7-8-16(24)15(23)11-14/h6-11,20,27H,4-5H2,1-3H3,(H,25,31)