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

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-[2-(cycloheptylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-[2-(cycloheptylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(cycloheptylamino)-2-oxoethyl]thio]benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-[2-(cycloheptylamino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-(cycloheptylamino)-2-keto-ethyl]thio]benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C22H31NO4S MolecularWeight: 405.55084

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1=CC=CC=C1SCC(=O)NC2CCCCCC2

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=CC=CC=C1SCC(=O)NC2CCCCCC2

InChI

InChI=1S/C22H31NO4S/c1-22(2,3)19(24)14-27-21(26)17-12-8-9-13-18(17)28-15-20(25)23-16-10-6-4-5-7-11-16/h8-9,12-13,16H,4-7,10-11,14-15H2,1-3H3,(H,23,25)