(3,3-dimethyl-2-oxidanylidene-butyl) 2-[2-[(4-aminocarbonylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-[2-[(4-aminocarbonylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-[2-(4-carbamoylanilino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(4-carbamoylanilino)-2-oxoethyl]thio]benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-[2-(4-carbamoylanilino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-(4-carbamoylanilino)-2-keto-ethyl]thio]benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C22H24N2O5S MolecularWeight: 428.50136

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O5S/c1-22(2,3)18(25)12-29-21(28)16-6-4-5-7-17(16)30-13-19(26)24-15-10-8-14(9-11-15)20(23)27/h4-11H,12-13H2,1-3H3,(H2,23,27)(H,24,26)