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(2S)-2-(quinolin-6-ylmethylsulfanyl)propanoate

(2S)-2-(quinolin-6-ylmethylsulfanyl)propanoate

Systemtic Name:(2S)-2-(quinolin-6-ylmethylsulfanyl)propanoate
Openeye Name:(2S)-2-(6-quinolylmethylsulfanyl)propanoate
CAS Name:(2S)-2-(6-quinolinylmethylthio)propanoate
IUPAC Name:(2S)-2-(quinolin-6-ylmethylsulfanyl)propanoate
Traditional Name:(2S)-2-(6-quinolylmethylthio)propionate
Formula: C13H12NO2S-
MolecularWeight: 246.30488
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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])SCC1=CC2=C(C=C1)N=CC=C2


Isomeric SMILES

C[C@@H](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)/p-1/t9-/m0/s1


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