(3,3-dimethyl-2-oxidanylidene-butyl) 2-[2-[(3-chloranyl-4-cyano-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-[2-[(3-chloranyl-4-cyano-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-[2-(3-chloro-4-cyano-anilino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(3-chloro-4-cyanoanilino)-2-oxoethyl]thio]benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-[2-(3-chloro-4-cyanoanilino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-(3-chloro-4-cyano-anilino)-2-keto-ethyl]thio]benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C22H21ClN2O4S MolecularWeight: 444.93114

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C22H21ClN2O4S/c1-22(2,3)19(26)12-29-21(28)16-6-4-5-7-18(16)30-13-20(27)25-15-9-8-14(11-24)17(23)10-15/h4-10H,12-13H2,1-3H3,(H,25,27)