3-(quinolin-6-ylmethylsulfanyl)propanoic acid

Systemtic Name: 3-(quinolin-6-ylmethylsulfanyl)propanoic acid Openeye Name: 3-(6-quinolylmethylsulfanyl)propanoic acid CAS Name: 3-(6-quinolinylmethylthio)propanoic acid IUPAC Name: 3-(quinolin-6-ylmethylsulfanyl)propanoic acid Traditional Name: 3-(6-quinolylmethylthio)propionic acid Formula: C13H13NO2S MolecularWeight: 247.31282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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