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

Systemtic Name: [2-oxidanylidene-2-[(4-propan-2-ylphenyl)amino]ethyl] 4-(4-methylsulfanylphenyl)-4-oxidanylidene-butanoate Openeye Name: [2-(4-isopropylanilino)-2-oxo-ethyl] 4-(4-methylsulfanylphenyl)-4-oxo-butanoate CAS Name: 4-[4-(methylthio)phenyl]-4-oxobutanoic acid [2-oxo-2-(4-propan-2-ylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(4-propan-2-ylanilino)ethyl] 4-(4-methylsulfanylphenyl)-4-oxobutanoate Traditional Name: 4-keto-4-[4-(methylthio)phenyl]butyric acid (2-cumidino-2-keto-ethyl) ester Formula: C22H25NO4S MolecularWeight: 399.5032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25NO4S/c1-15(2)16-4-8-18(9-5-16)23-21(25)14-27-22(26)13-12-20(24)17-6-10-19(28-3)11-7-17/h4-11,15H,12-14H2,1-3H3,(H,23,25)