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

Systemtic Name: [4-[(E)-2-cyano-3-oxidanylidene-3-[(4-sulfamoylphenyl)amino]prop-1-enyl]-2-ethoxy-phenyl] 2-chloranylbenzoate Openeye Name: [4-[(E)-2-cyano-3-oxo-3-(4-sulfamoylanilino)prop-1-enyl]-2-ethoxy-phenyl] 2-chlorobenzoate CAS Name: 2-chlorobenzoic 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] 2-chlorobenzoate Traditional Name: 2-chlorobenzoic acid [4-[(E)-2-cyano-3-keto-3-(4-sulfamoylanilino)prop-1-enyl]-2-ethoxy-phenyl] ester Formula: C25H20ClN3O6S MolecularWeight: 525.9608

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N)OC(=O)C3=CC=CC=C3Cl

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)NC2=CC=C(C=C2)S(=O)(=O)N)OC(=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C25H20ClN3O6S/c1-2-34-23-14-16(7-12-22(23)35-25(31)20-5-3-4-6-21(20)26)13-17(15-27)24(30)29-18-8-10-19(11-9-18)36(28,32)33/h3-14H,2H2,1H3,(H,29,30)(H2,28,32,33)/b17-13+