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

Systemtic Name: methyl 6-(3-ethoxy-4-oxidanyl-phenyl)-4-methyl-3-(3-methylphenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl 6-(3-ethoxy-4-hydroxy-phenyl)-4-methyl-3-(m-tolyl)-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-(3-ethoxy-4-hydroxyphenyl)-4-methyl-3-(3-methylphenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 6-(3-ethoxy-4-hydroxyphenyl)-4-methyl-3-(3-methylphenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-(3-ethoxy-4-hydroxy-phenyl)-4-methyl-3-(m-tolyl)-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C22H24N2O4S MolecularWeight: 412.50196

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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)C)C(=O)OC)O

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O4S/c1-5-28-18-12-15(9-10-17(18)25)20-19(21(26)27-4)14(3)24(22(29)23-20)16-8-6-7-13(2)11-16/h6-12,20,25H,5H2,1-4H3,(H,23,29)