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2-propylsulfanylquinoline-4-carboxylic acid

2-propylsulfanylquinoline-4-carboxylic acid

Systemtic Name:2-propylsulfanylquinoline-4-carboxylic acid
Openeye Name:2-propylsulfanylquinoline-4-carboxylic acid
CAS Name:2-(propylthio)-4-quinolinecarboxylic acid
IUPAC Name:2-propylsulfanylquinoline-4-carboxylic acid
Traditional Name:2-(propylthio)cinchoninic acid
Formula: C13H13NO2S
MolecularWeight: 247.31282
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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC2=CC=CC=C2C(=C1)C(=O)O


Isomeric SMILES

CCCSC1=NC2=CC=CC=C2C(=C1)C(=O)O


InChI

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


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