ethyl (E,2Z)-2-methylsulfonylimino-4-[2-(3-phenylprop-2-ynoxy)phenyl]but-3-enoate

Systemtic Name: ethyl (E,2Z)-2-methylsulfonylimino-4-[2-(3-phenylprop-2-ynoxy)phenyl]but-3-enoate Openeye Name: ethyl (E,2Z)-2-methylsulfonylimino-4-[2-(3-phenylprop-2-ynoxy)phenyl]but-3-enoate CAS Name: (E,2Z)-2-methylsulfonylimino-4-[2-(3-phenylprop-2-ynoxy)phenyl]-3-butenoic acid ethyl ester IUPAC Name: ethyl (E,2Z)-2-methylsulfonylimino-4-[2-(3-phenylprop-2-ynoxy)phenyl]but-3-enoate Traditional Name: (E,2Z)-2-mesylimino-4-[2-(3-phenylprop-2-ynoxy)phenyl]but-3-enoic acid ethyl ester Formula: C22H21NO5S MolecularWeight: 411.47084

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=NS(=O)(=O)C)C=CC1=CC=CC=C1OCC#CC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)/C(=N\S(=O)(=O)C)/C=C/C1=CC=CC=C1OCC#CC2=CC=CC=C2

InChI

InChI=1S/C22H21NO5S/c1-3-27-22(24)20(23-29(2,25)26)16-15-19-13-7-8-14-21(19)28-17-9-12-18-10-5-4-6-11-18/h4-8,10-11,13-16H,3,17H2,1-2H3/b16-15+,23-20-