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

Systemtic Name: [2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 4-(4-methylsulfanylphenyl)-4-oxidanylidene-butanoate Openeye Name: [2-(2-methylsulfanylanilino)-2-oxo-ethyl] 4-(4-methylsulfanylphenyl)-4-oxo-butanoate CAS Name: 4-[4-(methylthio)phenyl]-4-oxobutanoic acid [2-[2-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(2-methylsulfanylanilino)-2-oxoethyl] 4-(4-methylsulfanylphenyl)-4-oxobutanoate Traditional Name: 4-keto-4-[4-(methylthio)phenyl]butyric acid [2-keto-2-[2-(methylthio)anilino]ethyl] ester Formula: C20H21NO4S2 MolecularWeight: 403.51504

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(=O)CCC(=O)OCC(=O)NC2=CC=CC=C2SC

Isomeric SMILES

CSC1=CC=C(C=C1)C(=O)CCC(=O)OCC(=O)NC2=CC=CC=C2SC

InChI

InChI=1S/C20H21NO4S2/c1-26-15-9-7-14(8-10-15)17(22)11-12-20(24)25-13-19(23)21-16-5-3-4-6-18(16)27-2/h3-10H,11-13H2,1-2H3,(H,21,23)