2-(quinolin-6-ylmethylsulfanyl)ethanoate

Systemtic Name: 2-(quinolin-6-ylmethylsulfanyl)ethanoate Openeye Name: 2-(6-quinolylmethylsulfanyl)acetate CAS Name: 2-(6-quinolinylmethylthio)acetate IUPAC Name: 2-(quinolin-6-ylmethylsulfanyl)acetate Traditional Name: 2-(6-quinolylmethylthio)acetate Formula: C12H10NO2S- MolecularWeight: 232.2783

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC(=C2)CSCC(=O)[O-])N=C1

Isomeric SMILES

C1=CC2=C(C=CC(=C2)CSCC(=O)[O-])N=C1

InChI

InChI=1S/C12H11NO2S/c14-12(15)8-16-7-9-3-4-11-10(6-9)2-1-5-13-11/h1-6H,7-8H2,(H,14,15)/p-1