2-(2-pyrrolidin-1-ylethylsulfanyl)benzoic acid

Systemtic Name: 2-(2-pyrrolidin-1-ylethylsulfanyl)benzoic acid Openeye Name: 2-(2-pyrrolidin-1-ylethylsulfanyl)benzoic acid CAS Name: 2-[2-(1-pyrrolidinyl)ethylthio]benzoic acid IUPAC Name: 2-(2-pyrrolidin-1-ylethylsulfanyl)benzoic acid Traditional Name: 2-(2-pyrrolidinoethylthio)benzoic acid Formula: C13H17NO2S MolecularWeight: 251.34458

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCSC2=CC=CC=C2C(=O)O

Isomeric SMILES

C1CCN(C1)CCSC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C13H17NO2S/c15-13(16)11-5-1-2-6-12(11)17-10-9-14-7-3-4-8-14/h1-2,5-6H,3-4,7-10H2,(H,15,16)