[2-oxidanylidene-2-[(2,4,6-trimethylphenyl)amino]ethyl] 4-(4-methylsulfanylphenyl)-4-oxidanylidene-butanoate

Systemtic Name: [2-oxidanylidene-2-[(2,4,6-trimethylphenyl)amino]ethyl] 4-(4-methylsulfanylphenyl)-4-oxidanylidene-butanoate Openeye Name: [2-oxo-2-(2,4,6-trimethylanilino)ethyl] 4-(4-methylsulfanylphenyl)-4-oxo-butanoate CAS Name: 4-[4-(methylthio)phenyl]-4-oxobutanoic acid [2-oxo-2-(2,4,6-trimethylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(2,4,6-trimethylanilino)ethyl] 4-(4-methylsulfanylphenyl)-4-oxobutanoate Traditional Name: 4-keto-4-[4-(methylthio)phenyl]butyric acid (2-keto-2-mesidino-ethyl) ester Formula: C22H25NO4S MolecularWeight: 399.5032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)COC(=O)CCC(=O)C2=CC=C(C=C2)SC)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)COC(=O)CCC(=O)C2=CC=C(C=C2)SC)C

InChI

InChI=1S/C22H25NO4S/c1-14-11-15(2)22(16(3)12-14)23-20(25)13-27-21(26)10-9-19(24)17-5-7-18(28-4)8-6-17/h5-8,11-12H,9-10,13H2,1-4H3,(H,23,25)