ethyl (4S,5R,6E)-4-(4-methylsulfanylphenyl)-2-oxidanylidene-6-(phenylsulfonylmethylidene)-1,3-diazinane-5-carboxylate

Systemtic Name: ethyl (4S,5R,6E)-4-(4-methylsulfanylphenyl)-2-oxidanylidene-6-(phenylsulfonylmethylidene)-1,3-diazinane-5-carboxylate Openeye Name: ethyl (4E,5R,6S)-4-(benzenesulfonylmethylene)-6-(4-methylsulfanylphenyl)-2-oxo-hexahydropyrimidine-5-carboxylate CAS Name: (4E,5R,6S)-4-(benzenesulfonylmethylidene)-6-[4-(methylthio)phenyl]-2-oxo-1,3-diazinane-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4E,5R,6S)-4-(benzenesulfonylmethylidene)-6-(4-methylsulfanylphenyl)-2-oxo-1,3-diazinane-5-carboxylate Traditional Name: (4E,5R,6S)-4-(besylmethylene)-2-keto-6-[4-(methylthio)phenyl]hexahydropyrimidine-5-carboxylic acid ethyl ester Formula: C21H22N2O5S2 MolecularWeight: 446.53978

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(NC(=O)NC1=CS(=O)(=O)C2=CC=CC=C2)C3=CC=C(C=C3)SC

Isomeric SMILES

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

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/h4-13,18-19H,3H2,1-2H3,(H2,22,23,25)/b17-13+/t18-,19+/m0/s1