2-[2-oxidanylidene-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl]sulfanylbenzoic acid

Systemtic Name: 2-[2-oxidanylidene-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl]sulfanylbenzoic acid Openeye Name: 2-[2-oxo-2-[2-(2-thienyl)pyrrolidin-1-yl]ethyl]sulfanylbenzoic acid CAS Name: 2-[[2-oxo-2-(2-thiophen-2-yl-1-pyrrolidinyl)ethyl]thio]benzoic acid IUPAC Name: 2-[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl]sulfanylbenzoic acid Traditional Name: 2-[[2-keto-2-[2-(2-thienyl)pyrrolidino]ethyl]thio]benzoic acid Formula: C17H17NO3S2 MolecularWeight: 347.45178

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CSC2=CC=CC=C2C(=O)O)C3=CC=CS3

Isomeric SMILES

C1CC(N(C1)C(=O)CSC2=CC=CC=C2C(=O)O)C3=CC=CS3

InChI

InChI=1S/C17H17NO3S2/c19-16(11-23-14-7-2-1-5-12(14)17(20)21)18-9-3-6-13(18)15-8-4-10-22-15/h1-2,4-5,7-8,10,13H,3,6,9,11H2,(H,20,21)