ethyl (4E,5S,6S)-4-[(4-chlorophenyl)sulfonylmethylidene]-6-(3,4-dimethoxyphenyl)-2-oxidanylidene-1,3-diazinane-5-carboxylate

Systemtic Name: ethyl (4E,5S,6S)-4-[(4-chlorophenyl)sulfonylmethylidene]-6-(3,4-dimethoxyphenyl)-2-oxidanylidene-1,3-diazinane-5-carboxylate Openeye Name: ethyl (4E,5S,6S)-4-[(4-chlorophenyl)sulfonylmethylene]-6-(3,4-dimethoxyphenyl)-2-oxo-hexahydropyrimidine-5-carboxylate CAS Name: (4E,5S,6S)-4-[(4-chlorophenyl)sulfonylmethylidene]-6-(3,4-dimethoxyphenyl)-2-oxo-1,3-diazinane-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4E,5S,6S)-4-[(4-chlorophenyl)sulfonylmethylidene]-6-(3,4-dimethoxyphenyl)-2-oxo-1,3-diazinane-5-carboxylate Traditional Name: (4E,5S,6S)-4-[(4-chlorophenyl)sulfonylmethylene]-6-(3,4-dimethoxyphenyl)-2-keto-hexahydropyrimidine-5-carboxylic acid ethyl ester Formula: C22H23ClN2O7S MolecularWeight: 494.94522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23ClN2O7S/c1-4-32-21(26)19-16(12-33(28,29)15-8-6-14(23)7-9-15)24-22(27)25-20(19)13-5-10-17(30-2)18(11-13)31-3/h5-12,19-20H,4H2,1-3H3,(H2,24,25,27)/b16-12+/t19-,20-/m1/s1