(2R)-2-quinolin-2-ylsulfanylbutanoate

Systemtic Name: (2R)-2-quinolin-2-ylsulfanylbutanoate Openeye Name: (2R)-2-(2-quinolylsulfanyl)butanoate CAS Name: (2R)-2-(2-quinolinylthio)butanoate IUPAC Name: (2R)-2-quinolin-2-ylsulfanylbutanoate Traditional Name: (2R)-2-(2-quinolylthio)butyrate Formula: C13H12NO2S- MolecularWeight: 246.30488

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)[O-])SC1=NC2=CC=CC=C2C=C1

Isomeric SMILES

CC[C@H](C(=O)[O-])SC1=NC2=CC=CC=C2C=C1

InChI

InChI=1S/C13H13NO2S/c1-2-11(13(15)16)17-12-8-7-9-5-3-4-6-10(9)14-12/h3-8,11H,2H2,1H3,(H,15,16)/p-1/t11-/m1/s1