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

Systemtic Name: ethyl 6-(3-chloranyl-5-ethoxy-4-oxidanyl-phenyl)-4-methyl-3-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 6-(3-chloro-5-ethoxy-4-hydroxy-phenyl)-4-methyl-3-phenyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-(3-chloro-5-ethoxy-4-hydroxyphenyl)-4-methyl-3-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(3-chloro-5-ethoxy-4-hydroxyphenyl)-4-methyl-3-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-(3-chloro-5-ethoxy-4-hydroxy-phenyl)-4-methyl-3-phenyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C22H23ClN2O4S MolecularWeight: 446.94702

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=CC=C3)C)C(=O)OCC)Cl)O

Isomeric SMILES

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

InChI

InChI=1S/C22H23ClN2O4S/c1-4-28-17-12-14(11-16(23)20(17)26)19-18(21(27)29-5-2)13(3)25(22(30)24-19)15-9-7-6-8-10-15/h6-12,19,26H,4-5H2,1-3H3,(H,24,30)