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

Systemtic Name: ethyl 4-(4-methylsulfanylphenyl)-2-oxidanylidene-6-(phenylsulfonylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-(benzenesulfonylmethyl)-4-(4-methylsulfanylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-(benzenesulfonylmethyl)-4-[4-(methylthio)phenyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(benzenesulfonylmethyl)-4-(4-methylsulfanylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-(besylmethyl)-2-keto-4-[4-(methylthio)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C21H22N2O5S2 MolecularWeight: 446.53978

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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=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O5S2/c1-3-28-20(24)18-17(13-30(26,27)16-7-5-4-6-8-16)22-21(25)23-19(18)14-9-11-15(29-2)12-10-14/h4-12,19H,3,13H2,1-2H3,(H2,22,23,25)