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

Systemtic Name: methyl (4S)-4-(2,5-dimethylphenyl)-6-[(2-methylphenyl)sulfanylmethyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: methyl (4S)-4-(2,5-dimethylphenyl)-6-(o-tolylsulfanylmethyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-(2,5-dimethylphenyl)-6-[[(2-methylphenyl)thio]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (4S)-4-(2,5-dimethylphenyl)-6-[(2-methylphenyl)sulfanylmethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-4-(2,5-dimethylphenyl)-2-keto-6-[(o-tolylthio)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester Formula: C22H24N2O3S MolecularWeight: 396.50256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C2C(=C(NC(=O)N2)CSC3=CC=CC=C3C)C(=O)OC

Isomeric SMILES

CC1=CC(=C(C=C1)C)[C@H]2C(=C(NC(=O)N2)CSC3=CC=CC=C3C)C(=O)OC

InChI

InChI=1S/C22H24N2O3S/c1-13-9-10-14(2)16(11-13)20-19(21(25)27-4)17(23-22(26)24-20)12-28-18-8-6-5-7-15(18)3/h5-11,20H,12H2,1-4H3,(H2,23,24,26)/t20-/m0/s1