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

Systemtic Name: ethyl (4S)-4-(4-ethoxyphenyl)-6-[(4-methylphenyl)sulfonylmethyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-4-(4-ethoxyphenyl)-2-oxo-6-(p-tolylsulfonylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-(4-ethoxyphenyl)-6-[(4-methylphenyl)sulfonylmethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-4-(4-ethoxyphenyl)-6-[(4-methylphenyl)sulfonylmethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-2-keto-4-p-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=C(C=C1)C2C(=C(NC(=O)N2)CS(=O)(=O)C3=CC=C(C=C3)C)C(=O)OCC

Isomeric SMILES

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

InChI

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