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

Systemtic Name: ethyl 6-(3-ethoxy-4-oxidanyl-phenyl)-4-methyl-3-(3-methylphenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C23H26N2O4S MolecularWeight: 426.52854

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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)OCC)O

Isomeric SMILES

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

InChI

InChI=1S/C23H26N2O4S/c1-5-28-19-13-16(10-11-18(19)26)21-20(22(27)29-6-2)15(4)25(23(30)24-21)17-9-7-8-14(3)12-17/h7-13,21,26H,5-6H2,1-4H3,(H,24,30)