[2-[(5-chloranyl-2-cyano-phenyl)amino]-2-oxidanylidene-ethyl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate

Systemtic Name: [2-[(5-chloranyl-2-cyano-phenyl)amino]-2-oxidanylidene-ethyl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate Openeye Name: [2-(5-chloro-2-cyano-anilino)-2-oxo-ethyl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate CAS Name: 3-[(4-ethoxyphenyl)sulfonylamino]propanoic acid [2-(5-chloro-2-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(5-chloro-2-cyanoanilino)-2-oxoethyl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate Traditional Name: 3-(p-phenetylsulfonylamino)propionic acid [2-(5-chloro-2-cyano-anilino)-2-keto-ethyl] ester Formula: C20H20ClN3O6S MolecularWeight: 465.9073

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OCC(=O)NC2=C(C=CC(=C2)Cl)C#N

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OCC(=O)NC2=C(C=CC(=C2)Cl)C#N

InChI

InChI=1S/C20H20ClN3O6S/c1-2-29-16-5-7-17(8-6-16)31(27,28)23-10-9-20(26)30-13-19(25)24-18-11-15(21)4-3-14(18)12-22/h3-8,11,23H,2,9-10,13H2,1H3,(H,24,25)