ethyl (4S)-4-(4-chlorophenyl)-2-oxidanylidene-6-(phenylsulfonylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4S)-4-(4-chlorophenyl)-2-oxidanylidene-6-(phenylsulfonylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-6-(benzenesulfonylmethyl)-4-(4-chlorophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-6-(benzenesulfonylmethyl)-4-(4-chlorophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-6-(benzenesulfonylmethyl)-4-(4-chlorophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-6-(besylmethyl)-4-(4-chlorophenyl)-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C20H19ClN2O5S MolecularWeight: 434.89326

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)Cl)CS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N[C@H]1C2=CC=C(C=C2)Cl)CS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H19ClN2O5S/c1-2-28-19(24)17-16(12-29(26,27)15-6-4-3-5-7-15)22-20(25)23-18(17)13-8-10-14(21)11-9-13/h3-11,18H,2,12H2,1H3,(H2,22,23,25)/t18-/m0/s1