(3,3-dimethyl-2-oxidanylidene-butyl) 2-[2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-[2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-[2-(3-methylsulfanylanilino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-[3-(methylthio)anilino]-2-oxoethyl]thio]benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-[2-(3-methylsulfanylanilino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-keto-2-[3-(methylthio)anilino]ethyl]thio]benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C22H25NO4S2 MolecularWeight: 431.5682

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1=CC=CC=C1SCC(=O)NC2=CC(=CC=C2)SC

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=CC=CC=C1SCC(=O)NC2=CC(=CC=C2)SC

InChI

InChI=1S/C22H25NO4S2/c1-22(2,3)19(24)13-27-21(26)17-10-5-6-11-18(17)29-14-20(25)23-15-8-7-9-16(12-15)28-4/h5-12H,13-14H2,1-4H3,(H,23,25)