4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanylbenzoic acid

Systemtic Name: 4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanylbenzoic acid Openeye Name: 4-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfanylbenzoic acid CAS Name: 4-[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]benzoic acid IUPAC Name: 4-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzoic acid Traditional Name: 4-[(2-keto-2-pyrrolidino-ethyl)thio]benzoic acid Formula: C13H15NO3S MolecularWeight: 265.3281

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CSC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

C1CCN(C1)C(=O)CSC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C13H15NO3S/c15-12(14-7-1-2-8-14)9-18-11-5-3-10(4-6-11)13(16)17/h3-6H,1-2,7-9H2,(H,16,17)