[2-[(5-chloranyl-2-cyano-phenyl)amino]-2-oxidanylidene-ethyl] 4-(4-methylsulfanylphenyl)-4-oxidanylidene-butanoate

Systemtic Name: [2-[(5-chloranyl-2-cyano-phenyl)amino]-2-oxidanylidene-ethyl] 4-(4-methylsulfanylphenyl)-4-oxidanylidene-butanoate Openeye Name: [2-(5-chloro-2-cyano-anilino)-2-oxo-ethyl] 4-(4-methylsulfanylphenyl)-4-oxo-butanoate CAS Name: 4-[4-(methylthio)phenyl]-4-oxobutanoic acid [2-(5-chloro-2-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(5-chloro-2-cyanoanilino)-2-oxoethyl] 4-(4-methylsulfanylphenyl)-4-oxobutanoate Traditional Name: 4-keto-4-[4-(methylthio)phenyl]butyric acid [2-(5-chloro-2-cyano-anilino)-2-keto-ethyl] ester Formula: C20H17ClN2O4S MolecularWeight: 416.87798

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(=O)CCC(=O)OCC(=O)NC2=C(C=CC(=C2)Cl)C#N

Isomeric SMILES

CSC1=CC=C(C=C1)C(=O)CCC(=O)OCC(=O)NC2=C(C=CC(=C2)Cl)C#N

InChI

InChI=1S/C20H17ClN2O4S/c1-28-16-6-3-13(4-7-16)18(24)8-9-20(26)27-12-19(25)23-17-10-15(21)5-2-14(17)11-22/h2-7,10H,8-9,12H2,1H3,(H,23,25)