ethyl 4-(2,5-dimethylphenyl)-6-[(4-methylphenyl)sulfanylmethyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-(2,5-dimethylphenyl)-6-[(4-methylphenyl)sulfanylmethyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(2,5-dimethylphenyl)-2-oxo-6-(p-tolylsulfanylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(2,5-dimethylphenyl)-6-[[(4-methylphenyl)thio]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(2,5-dimethylphenyl)-6-[(4-methylphenyl)sulfanylmethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(2,5-dimethylphenyl)-2-keto-6-[(p-tolylthio)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C23H26N2O3S MolecularWeight: 410.52914

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=C(C=CC(=C2)C)C)CSC3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1C2=C(C=CC(=C2)C)C)CSC3=CC=C(C=C3)C

InChI

InChI=1S/C23H26N2O3S/c1-5-28-22(26)20-19(13-29-17-10-7-14(2)8-11-17)24-23(27)25-21(20)18-12-15(3)6-9-16(18)4/h6-12,21H,5,13H2,1-4H3,(H2,24,25,27)