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

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-[2-oxidanylidene-2-(phenethylamino)ethyl]sulfanylbenzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-[2-oxo-2-(phenethylamino)ethyl]sulfanylbenzoate CAS Name: 2-[[2-oxo-2-(phenethylamino)ethyl]thio]benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-[2-oxo-2-(phenethylamino)ethyl]sulfanylbenzoate Traditional Name: 2-[[2-keto-2-(phenethylamino)ethyl]thio]benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C23H27NO4S MolecularWeight: 413.52978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1=CC=CC=C1SCC(=O)NCCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=CC=CC=C1SCC(=O)NCCC2=CC=CC=C2

InChI

InChI=1S/C23H27NO4S/c1-23(2,3)20(25)15-28-22(27)18-11-7-8-12-19(18)29-16-21(26)24-14-13-17-9-5-4-6-10-17/h4-12H,13-16H2,1-3H3,(H,24,26)