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

Systemtic Name: ethyl (4S,5R)-4-(2-methoxyphenyl)-6-[(4-methylphenyl)sulfonylmethylidene]-2-oxidanylidene-1,3-diazinane-5-carboxylate Openeye Name: ethyl (4S,5R)-4-(2-methoxyphenyl)-2-oxo-6-(p-tolylsulfonylmethylene)hexahydropyrimidine-5-carboxylate CAS Name: (4S,5R)-4-(2-methoxyphenyl)-6-[(4-methylphenyl)sulfonylmethylidene]-2-oxo-1,3-diazinane-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S,5R)-4-(2-methoxyphenyl)-6-[(4-methylphenyl)sulfonylmethylidene]-2-oxo-1,3-diazinane-5-carboxylate Traditional Name: (4S,5R)-2-keto-4-(2-methoxyphenyl)-6-(tosylmethylene)hexahydropyrimidine-5-carboxylic acid ethyl ester Formula: C22H24N2O6S MolecularWeight: 444.50076

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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=C3OC

Isomeric SMILES

CCOC(=O)[C@@H]1[C@H](NC(=O)NC1=CS(=O)(=O)C2=CC=C(C=C2)C)C3=CC=CC=C3OC

InChI

InChI=1S/C22H24N2O6S/c1-4-30-21(25)19-17(13-31(27,28)15-11-9-14(2)10-12-15)23-22(26)24-20(19)16-7-5-6-8-18(16)29-3/h5-13,19-20H,4H2,1-3H3,(H2,23,24,26)/t19-,20+/m0/s1