[4-[(E)-2-cyano-3-oxidanylidene-3-[(4-sulfamoylphenyl)amino]prop-1-enyl]-2-ethoxy-phenyl] propanoate

Systemtic Name: [4-[(E)-2-cyano-3-oxidanylidene-3-[(4-sulfamoylphenyl)amino]prop-1-enyl]-2-ethoxy-phenyl] propanoate Openeye Name: [4-[(E)-2-cyano-3-oxo-3-(4-sulfamoylanilino)prop-1-enyl]-2-ethoxy-phenyl] propanoate CAS Name: propanoic acid [4-[(E)-2-cyano-3-oxo-3-(4-sulfamoylanilino)prop-1-enyl]-2-ethoxyphenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-oxo-3-(4-sulfamoylanilino)prop-1-enyl]-2-ethoxyphenyl] propanoate Traditional Name: propionic acid [4-[(E)-2-cyano-3-keto-3-(4-sulfamoylanilino)prop-1-enyl]-2-ethoxy-phenyl] ester Formula: C21H21N3O6S MolecularWeight: 443.47294

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1=C(C=C(C=C1)C=C(C#N)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N)OCC

Isomeric SMILES

CCC(=O)OC1=C(C=C(C=C1)/C=C(\C#N)/C(=O)NC2=CC=C(C=C2)S(=O)(=O)N)OCC

InChI

InChI=1S/C21H21N3O6S/c1-3-20(25)30-18-10-5-14(12-19(18)29-4-2)11-15(13-22)21(26)24-16-6-8-17(9-7-16)31(23,27)28/h5-12H,3-4H2,1-2H3,(H,24,26)(H2,23,27,28)/b15-11+