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

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]sulfanylbenzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-[2-(benzylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-oxo-2-[(phenylmethyl)amino]ethyl]thio]benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-[2-(benzylamino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-(benzylamino)-2-keto-ethyl]thio]benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C22H25NO4S MolecularWeight: 399.5032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25NO4S/c1-22(2,3)19(24)14-27-21(26)17-11-7-8-12-18(17)28-15-20(25)23-13-16-9-5-4-6-10-16/h4-12H,13-15H2,1-3H3,(H,23,25)