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

Systemtic Name: ethyl (4S)-6-[(4-chlorophenyl)sulfonylmethyl]-4-(4-ethoxyphenyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-6-[(4-chlorophenyl)sulfonylmethyl]-4-(4-ethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-6-[(4-chlorophenyl)sulfonylmethyl]-4-(4-ethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-6-[(4-chlorophenyl)sulfonylmethyl]-4-(4-ethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-6-[(4-chlorophenyl)sulfonylmethyl]-2-keto-4-p-phenetyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C22H23ClN2O6S MolecularWeight: 478.94582

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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)Cl)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)Cl)C(=O)OCC

InChI

InChI=1S/C22H23ClN2O6S/c1-3-30-16-9-5-14(6-10-16)20-19(21(26)31-4-2)18(24-22(27)25-20)13-32(28,29)17-11-7-15(23)8-12-17/h5-12,20H,3-4,13H2,1-2H3,(H2,24,25,27)/t20-/m0/s1