ethyl (4E,5R,6S)-4-[(4-methylphenyl)sulfonylmethylidene]-2-oxidanylidene-6-phenyl-1,3-diazinane-5-carboxylate

Systemtic Name: ethyl (4E,5R,6S)-4-[(4-methylphenyl)sulfonylmethylidene]-2-oxidanylidene-6-phenyl-1,3-diazinane-5-carboxylate Openeye Name: ethyl (4S,5R,6E)-2-oxo-4-phenyl-6-(p-tolylsulfonylmethylene)hexahydropyrimidine-5-carboxylate CAS Name: (4E,5R,6S)-4-[(4-methylphenyl)sulfonylmethylidene]-2-oxo-6-phenyl-1,3-diazinane-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4E,5R,6S)-4-[(4-methylphenyl)sulfonylmethylidene]-2-oxo-6-phenyl-1,3-diazinane-5-carboxylate Traditional Name: (4S,5R,6E)-2-keto-4-phenyl-6-(tosylmethylene)hexahydropyrimidine-5-carboxylic acid ethyl ester Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O5S/c1-3-28-20(24)18-17(13-29(26,27)16-11-9-14(2)10-12-16)22-21(25)23-19(18)15-7-5-4-6-8-15/h4-13,18-19H,3H2,1-2H3,(H2,22,23,25)/b17-13+/t18-,19+/m0/s1