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

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-[2-(cyclopentylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-[2-(cyclopentylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(cyclopentylamino)-2-oxoethyl]thio]benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-[2-(cyclopentylamino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-(cyclopentylamino)-2-keto-ethyl]thio]benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C20H27NO4S MolecularWeight: 377.49768

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1=CC=CC=C1SCC(=O)NC2CCCC2

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=CC=CC=C1SCC(=O)NC2CCCC2

InChI

InChI=1S/C20H27NO4S/c1-20(2,3)17(22)12-25-19(24)15-10-6-7-11-16(15)26-13-18(23)21-14-8-4-5-9-14/h6-7,10-11,14H,4-5,8-9,12-13H2,1-3H3,(H,21,23)