2-(2-quinolin-2-ylethylsulfanyl)ethanoic acid

Systemtic Name: 2-(2-quinolin-2-ylethylsulfanyl)ethanoic acid Openeye Name: 2-[2-(2-quinolyl)ethylsulfanyl]acetic acid CAS Name: 2-[2-(2-quinolinyl)ethylthio]acetic acid IUPAC Name: 2-(2-quinolin-2-ylethylsulfanyl)acetic acid Traditional Name: 2-[2-(2-quinolyl)ethylthio]acetic acid Formula: C13H13NO2S MolecularWeight: 247.31282

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=N2)CCSCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=N2)CCSCC(=O)O

InChI

InChI=1S/C13H13NO2S/c15-13(16)9-17-8-7-11-6-5-10-3-1-2-4-12(10)14-11/h1-6H,7-9H2,(H,15,16)