ethyl 4-[[2-[[(E)-2-cyano-3-ethoxy-3-oxidanylidene-prop-1-enyl]amino]phenyl]sulfamoyl]benzoate

Systemtic Name: ethyl 4-[[2-[[(E)-2-cyano-3-ethoxy-3-oxidanylidene-prop-1-enyl]amino]phenyl]sulfamoyl]benzoate Openeye Name: ethyl 4-[[2-[[(E)-2-cyano-3-ethoxy-3-oxo-prop-1-enyl]amino]phenyl]sulfamoyl]benzoate CAS Name: 4-[[2-[[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]amino]phenyl]sulfamoyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]amino]phenyl]sulfamoyl]benzoate Traditional Name: 4-[[2-[[(E)-2-cyano-3-ethoxy-3-keto-prop-1-enyl]amino]phenyl]sulfamoyl]benzoic acid ethyl ester Formula: C21H21N3O6S MolecularWeight: 443.47294

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2NC=C(C#N)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2N/C=C(\C#N)/C(=O)OCC

InChI

InChI=1S/C21H21N3O6S/c1-3-29-20(25)15-9-11-17(12-10-15)31(27,28)24-19-8-6-5-7-18(19)23-14-16(13-22)21(26)30-4-2/h5-12,14,23-24H,3-4H2,1-2H3/b16-14+