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

Systemtic Name: ethyl (5R,6S)-4-methylidene-6-[4-(4-methylphenyl)sulfonyloxyphenyl]-2-oxidanylidene-1,3-diazinane-5-carboxylate Openeye Name: ethyl (5R,6S)-4-methylene-2-oxo-6-[4-(p-tolylsulfonyloxy)phenyl]hexahydropyrimidine-5-carboxylate CAS Name: (5R,6S)-4-methylene-6-[4-(4-methylphenyl)sulfonyloxyphenyl]-2-oxo-1,3-diazinane-5-carboxylic acid ethyl ester IUPAC Name: ethyl (5R,6S)-4-methylidene-6-[4-(4-methylphenyl)sulfonyloxyphenyl]-2-oxo-1,3-diazinane-5-carboxylate Traditional Name: (5R,6S)-2-keto-4-methylene-6-(4-tosyloxyphenyl)hexahydropyrimidine-5-carboxylic acid ethyl ester Formula: C21H22N2O6S MolecularWeight: 430.47418

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O6S/c1-4-28-20(24)18-14(3)22-21(25)23-19(18)15-7-9-16(10-8-15)29-30(26,27)17-11-5-13(2)6-12-17/h5-12,18-19H,3-4H2,1-2H3,(H2,22,23,25)/t18-,19+/m0/s1