(3,3-dimethyl-2-oxidanylidene-butyl) 2-[2-oxidanylidene-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]ethyl]sulfanylbenzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-[2-oxidanylidene-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]ethyl]sulfanylbenzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-[2-oxo-2-[(2S)-2-(2-thienyl)pyrrolidin-1-yl]ethyl]sulfanylbenzoate CAS Name: 2-[[2-oxo-2-[(2S)-2-thiophen-2-yl-1-pyrrolidinyl]ethyl]thio]benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-[2-oxo-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]ethyl]sulfanylbenzoate Traditional Name: 2-[[2-keto-2-[(2S)-2-(2-thienyl)pyrrolidino]ethyl]thio]benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C23H27NO4S2 MolecularWeight: 445.59478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1=CC=CC=C1SCC(=O)N2CCCC2C3=CC=CS3

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=CC=CC=C1SCC(=O)N2CCC[C@H]2C3=CC=CS3

InChI

InChI=1S/C23H27NO4S2/c1-23(2,3)20(25)14-28-22(27)16-8-4-5-10-18(16)30-15-21(26)24-12-6-9-17(24)19-11-7-13-29-19/h4-5,7-8,10-11,13,17H,6,9,12,14-15H2,1-3H3/t17-/m0/s1