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

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-[2-[(3,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-[2-(3,4-dimethoxyanilino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(3,4-dimethoxyanilino)-2-oxoethyl]thio]benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-(3,4-dimethoxyanilino)-2-keto-ethyl]thio]benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C23H27NO6S MolecularWeight: 445.52858

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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)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C23H27NO6S/c1-23(2,3)20(25)13-30-22(27)16-8-6-7-9-19(16)31-14-21(26)24-15-10-11-17(28-4)18(12-15)29-5/h6-12H,13-14H2,1-5H3,(H,24,26)