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

Systemtic Name: ethyl (4S,5R,6E)-2-oxidanylidene-4-phenyl-6-[(4-propan-2-ylphenyl)sulfonylmethylidene]-1,3-diazinane-5-carboxylate Openeye Name: ethyl (4E,5R,6S)-4-[(4-isopropylphenyl)sulfonylmethylene]-2-oxo-6-phenyl-hexahydropyrimidine-5-carboxylate CAS Name: (4S,5R,6E)-2-oxo-4-phenyl-6-[(4-propan-2-ylphenyl)sulfonylmethylidene]-1,3-diazinane-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S,5R,6E)-2-oxo-4-phenyl-6-[(4-propan-2-ylphenyl)sulfonylmethylidene]-1,3-diazinane-5-carboxylate Traditional Name: (4E,5R,6S)-2-keto-4-(p-cumenylsulfonylmethylene)-6-phenyl-hexahydropyrimidine-5-carboxylic acid ethyl ester Formula: C23H26N2O5S MolecularWeight: 442.52794

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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(C)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(C)C)C3=CC=CC=C3

InChI

InChI=1S/C23H26N2O5S/c1-4-30-22(26)20-19(24-23(27)25-21(20)17-8-6-5-7-9-17)14-31(28,29)18-12-10-16(11-13-18)15(2)3/h5-15,20-21H,4H2,1-3H3,(H2,24,25,27)/b19-14+/t20-,21+/m0/s1