2-(quinolin-6-ylmethylsulfanyl)propanoic acid

Systemtic Name: 2-(quinolin-6-ylmethylsulfanyl)propanoic acid Openeye Name: 2-(6-quinolylmethylsulfanyl)propanoic acid CAS Name: 2-(6-quinolinylmethylthio)propanoic acid IUPAC Name: 2-(quinolin-6-ylmethylsulfanyl)propanoic acid Traditional Name: 2-(6-quinolylmethylthio)propionic acid Formula: C13H13NO2S MolecularWeight: 247.31282

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SCC1=CC2=C(C=C1)N=CC=C2

Isomeric SMILES

CC(C(=O)O)SCC1=CC2=C(C=C1)N=CC=C2

InChI

InChI=1S/C13H13NO2S/c1-9(13(15)16)17-8-10-4-5-12-11(7-10)3-2-6-14-12/h2-7,9H,8H2,1H3,(H,15,16)