ethyl (4S)-4-(2-ethoxyphenyl)-6-[(4-methylphenyl)sulfonylmethyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4S)-4-(2-ethoxyphenyl)-6-[(4-methylphenyl)sulfonylmethyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-4-(2-ethoxyphenyl)-2-oxo-6-(p-tolylsulfonylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-(2-ethoxyphenyl)-6-[(4-methylphenyl)sulfonylmethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-4-(2-ethoxyphenyl)-6-[(4-methylphenyl)sulfonylmethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-2-keto-4-o-phenetyl-6-(tosylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C23H26N2O6S MolecularWeight: 458.52734

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C2C(=C(NC(=O)N2)CS(=O)(=O)C3=CC=C(C=C3)C)C(=O)OCC

Isomeric SMILES

CCOC1=CC=CC=C1[C@H]2C(=C(NC(=O)N2)CS(=O)(=O)C3=CC=C(C=C3)C)C(=O)OCC

InChI

InChI=1S/C23H26N2O6S/c1-4-30-19-9-7-6-8-17(19)21-20(22(26)31-5-2)18(24-23(27)25-21)14-32(28,29)16-12-10-15(3)11-13-16/h6-13,21H,4-5,14H2,1-3H3,(H2,24,25,27)/t21-/m0/s1