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

Systemtic Name: ethyl (4S)-6-[(4-chlorophenyl)sulfonylmethyl]-4-(3-methoxy-4-oxidanyl-phenyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-6-[(4-chlorophenyl)sulfonylmethyl]-4-(4-hydroxy-3-methoxy-phenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-6-[(4-chlorophenyl)sulfonylmethyl]-4-(4-hydroxy-3-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-6-[(4-chlorophenyl)sulfonylmethyl]-4-(4-hydroxy-3-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-6-[(4-chlorophenyl)sulfonylmethyl]-4-(4-hydroxy-3-methoxy-phenyl)-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C21H21ClN2O7S MolecularWeight: 480.91864

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN2O7S/c1-3-31-20(26)18-15(11-32(28,29)14-7-5-13(22)6-8-14)23-21(27)24-19(18)12-4-9-16(25)17(10-12)30-2/h4-10,19,25H,3,11H2,1-2H3,(H2,23,24,27)/t19-/m0/s1