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

Systemtic Name: ethyl (4S)-6-[(4-methylphenyl)sulfonylmethyl]-4-(4-methylsulfanylphenyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-4-(4-methylsulfanylphenyl)-2-oxo-6-(p-tolylsulfonylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-6-[(4-methylphenyl)sulfonylmethyl]-4-[4-(methylthio)phenyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-6-[(4-methylphenyl)sulfonylmethyl]-4-(4-methylsulfanylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-2-keto-4-[4-(methylthio)phenyl]-6-(tosylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C22H24N2O5S2 MolecularWeight: 460.56636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O5S2/c1-4-29-21(25)19-18(13-31(27,28)17-11-5-14(2)6-12-17)23-22(26)24-20(19)15-7-9-16(30-3)10-8-15/h5-12,20H,4,13H2,1-3H3,(H2,23,24,26)/t20-/m0/s1