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

Systemtic Name: [2-[(2-ethanoylphenyl)amino]-2-oxidanylidene-ethyl] 4-(4-methylsulfanylphenyl)-4-oxidanylidene-butanoate Openeye Name: [2-(2-acetylanilino)-2-oxo-ethyl] 4-(4-methylsulfanylphenyl)-4-oxo-butanoate CAS Name: 4-[4-(methylthio)phenyl]-4-oxobutanoic acid [2-(2-acetylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-acetylanilino)-2-oxoethyl] 4-(4-methylsulfanylphenyl)-4-oxobutanoate Traditional Name: 4-keto-4-[4-(methylthio)phenyl]butyric acid [2-(2-acetylanilino)-2-keto-ethyl] ester Formula: C21H21NO5S MolecularWeight: 399.46014

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=CC=C1NC(=O)COC(=O)CCC(=O)C2=CC=C(C=C2)SC

Isomeric SMILES

CC(=O)C1=CC=CC=C1NC(=O)COC(=O)CCC(=O)C2=CC=C(C=C2)SC

InChI

InChI=1S/C21H21NO5S/c1-14(23)17-5-3-4-6-18(17)22-20(25)13-27-21(26)12-11-19(24)15-7-9-16(28-2)10-8-15/h3-10H,11-13H2,1-2H3,(H,22,25)