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

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]thio]benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-keto-2-(veratrylamino)ethyl]thio]benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C24H29NO6S MolecularWeight: 459.55516

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1=CC=CC=C1SCC(=O)NCC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=CC=CC=C1SCC(=O)NCC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C24H29NO6S/c1-24(2,3)21(26)14-31-23(28)17-8-6-7-9-20(17)32-15-22(27)25-13-16-10-11-18(29-4)19(12-16)30-5/h6-12H,13-15H2,1-5H3,(H,25,27)