[2-oxidanylidene-2-[(2-prop-2-enylsulfanylphenyl)amino]ethyl] 4-(4-chlorophenyl)-4-oxidanylidene-butanoate

Systemtic Name: [2-oxidanylidene-2-[(2-prop-2-enylsulfanylphenyl)amino]ethyl] 4-(4-chlorophenyl)-4-oxidanylidene-butanoate Openeye Name: [2-(2-allylsulfanylanilino)-2-oxo-ethyl] 4-(4-chlorophenyl)-4-oxo-butanoate CAS Name: 4-(4-chlorophenyl)-4-oxobutanoic acid [2-oxo-2-[2-(prop-2-enylthio)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(2-prop-2-enylsulfanylanilino)ethyl] 4-(4-chlorophenyl)-4-oxobutanoate Traditional Name: 4-(4-chlorophenyl)-4-keto-butyric acid [2-[2-(allylthio)anilino]-2-keto-ethyl] ester Formula: C21H20ClNO4S MolecularWeight: 417.9058

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=CC=CC=C1NC(=O)COC(=O)CCC(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

C=CCSC1=CC=CC=C1NC(=O)COC(=O)CCC(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C21H20ClNO4S/c1-2-13-28-19-6-4-3-5-17(19)23-20(25)14-27-21(26)12-11-18(24)15-7-9-16(22)10-8-15/h2-10H,1,11-14H2,(H,23,25)