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

Systemtic Name: ethyl (4R,5S,6E)-2-oxidanylidene-4-phenyl-6-(phenylsulfonylmethylidene)-1,3-diazinane-5-carboxylate Openeye Name: ethyl (4E,5S,6R)-4-(benzenesulfonylmethylene)-2-oxo-6-phenyl-hexahydropyrimidine-5-carboxylate CAS Name: (4E,5S,6R)-4-(benzenesulfonylmethylidene)-2-oxo-6-phenyl-1,3-diazinane-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4E,5S,6R)-4-(benzenesulfonylmethylidene)-2-oxo-6-phenyl-1,3-diazinane-5-carboxylate Traditional Name: (4E,5S,6R)-4-(besylmethylene)-2-keto-6-phenyl-hexahydropyrimidine-5-carboxylic acid ethyl ester Formula: C20H20N2O5S MolecularWeight: 400.4482

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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=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O5S/c1-2-27-19(23)17-16(13-28(25,26)15-11-7-4-8-12-15)21-20(24)22-18(17)14-9-5-3-6-10-14/h3-13,17-18H,2H2,1H3,(H2,21,22,24)/b16-13+/t17-,18+/m1/s1