4-[2-oxidanylidene-2-(2-oxidanylidenepyrrolidin-1-yl)ethyl]sulfanylbenzoic acid

Systemtic Name: 4-[2-oxidanylidene-2-(2-oxidanylidenepyrrolidin-1-yl)ethyl]sulfanylbenzoic acid Openeye Name: 4-[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl]sulfanylbenzoic acid CAS Name: 4-[[2-oxo-2-(2-oxo-1-pyrrolidinyl)ethyl]thio]benzoic acid IUPAC Name: 4-[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl]sulfanylbenzoic acid Traditional Name: 4-[[2-keto-2-(2-ketopyrrolidino)ethyl]thio]benzoic acid Formula: C13H13NO4S MolecularWeight: 279.31162

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)C(=O)CSC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

C1CC(=O)N(C1)C(=O)CSC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C13H13NO4S/c15-11-2-1-7-14(11)12(16)8-19-10-5-3-9(4-6-10)13(17)18/h3-6H,1-2,7-8H2,(H,17,18)