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

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-[2-[(4-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-[2-[(4-methoxyphenyl)methylamino]-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]thio]benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-keto-2-(p-anisylamino)ethyl]thio]benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C23H27NO5S MolecularWeight: 429.52918

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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

Isomeric SMILES

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

InChI

InChI=1S/C23H27NO5S/c1-23(2,3)20(25)14-29-22(27)18-7-5-6-8-19(18)30-15-21(26)24-13-16-9-11-17(28-4)12-10-16/h5-12H,13-15H2,1-4H3,(H,24,26)