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

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-[2-[(4-cyanophenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-[2-(4-cyanoanilino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(4-cyanoanilino)-2-oxoethyl]thio]benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-[2-(4-cyanoanilino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-(4-cyanoanilino)-2-keto-ethyl]thio]benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C22H22N2O4S MolecularWeight: 410.48608

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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#N

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O4S/c1-22(2,3)19(25)13-28-21(27)17-6-4-5-7-18(17)29-14-20(26)24-16-10-8-15(12-23)9-11-16/h4-11H,13-14H2,1-3H3,(H,24,26)