ethyl (4E)-3-(4-methanoylphenyl)-4-methoxy-4-(4-methylphenyl)sulfonylimino-2-oxidanyl-butanoate

Systemtic Name: ethyl (4E)-3-(4-methanoylphenyl)-4-methoxy-4-(4-methylphenyl)sulfonylimino-2-oxidanyl-butanoate Openeye Name: ethyl (4E)-3-(4-formylphenyl)-2-hydroxy-4-methoxy-4-(p-tolylsulfonylimino)butanoate CAS Name: (4E)-3-(4-formylphenyl)-2-hydroxy-4-methoxy-4-(4-methylphenyl)sulfonyliminobutanoic acid ethyl ester IUPAC Name: ethyl (4E)-3-(4-formylphenyl)-2-hydroxy-4-methoxy-4-(4-methylphenyl)sulfonyliminobutanoate Traditional Name: (4E)-3-(4-formylphenyl)-2-hydroxy-4-methoxy-4-tosylimino-butyric acid ethyl ester Formula: C21H23NO7S MolecularWeight: 433.47482

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C1=CC=C(C=C1)C=O)C(=NS(=O)(=O)C2=CC=C(C=C2)C)OC)O

Isomeric SMILES

CCOC(=O)C(C(C1=CC=C(C=C1)C=O)/C(=N\S(=O)(=O)C2=CC=C(C=C2)C)/OC)O

InChI

InChI=1S/C21H23NO7S/c1-4-29-21(25)19(24)18(16-9-7-15(13-23)8-10-16)20(28-3)22-30(26,27)17-11-5-14(2)6-12-17/h5-13,18-19,24H,4H2,1-3H3/b22-20+