[2-[(4-cyanophenyl)amino]-2-oxidanylidene-ethyl] 4-(4-methylsulfanylphenyl)-4-oxidanylidene-butanoate

Systemtic Name: [2-[(4-cyanophenyl)amino]-2-oxidanylidene-ethyl] 4-(4-methylsulfanylphenyl)-4-oxidanylidene-butanoate Openeye Name: [2-(4-cyanoanilino)-2-oxo-ethyl] 4-(4-methylsulfanylphenyl)-4-oxo-butanoate CAS Name: 4-[4-(methylthio)phenyl]-4-oxobutanoic acid [2-(4-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-cyanoanilino)-2-oxoethyl] 4-(4-methylsulfanylphenyl)-4-oxobutanoate Traditional Name: 4-keto-4-[4-(methylthio)phenyl]butyric acid [2-(4-cyanoanilino)-2-keto-ethyl] ester Formula: C20H18N2O4S MolecularWeight: 382.43292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N2O4S/c1-27-17-8-4-15(5-9-17)18(23)10-11-20(25)26-13-19(24)22-16-6-2-14(12-21)3-7-16/h2-9H,10-11,13H2,1H3,(H,22,24)