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

Systemtic Name: ethyl (4S)-6-[(3,4-dimethylphenyl)sulfonylmethyl]-4-(4-ethoxyphenyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-6-[(3,4-dimethylphenyl)sulfonylmethyl]-4-(4-ethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-6-[(3,4-dimethylphenyl)sulfonylmethyl]-4-(4-ethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-6-[(3,4-dimethylphenyl)sulfonylmethyl]-4-(4-ethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-6-[(3,4-dimethylphenyl)sulfonylmethyl]-2-keto-4-p-phenetyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C24H28N2O6S MolecularWeight: 472.55392

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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)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)C(=O)OCC

InChI

InChI=1S/C24H28N2O6S/c1-5-31-18-10-8-17(9-11-18)22-21(23(27)32-6-2)20(25-24(28)26-22)14-33(29,30)19-12-7-15(3)16(4)13-19/h7-13,22H,5-6,14H2,1-4H3,(H2,25,26,28)/t22-/m0/s1