1-propylsulfanylisoquinoline-3-carboxylic acid

Systemtic Name: 1-propylsulfanylisoquinoline-3-carboxylic acid Openeye Name: 1-propylsulfanylisoquinoline-3-carboxylic acid CAS Name: 1-(propylthio)-3-isoquinolinecarboxylic acid IUPAC Name: 1-propylsulfanylisoquinoline-3-carboxylic acid Traditional Name: 1-(propylthio)isoquinoline-3-carboxylic acid Formula: C13H13NO2S MolecularWeight: 247.31282

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC(=CC2=CC=CC=C21)C(=O)O

Isomeric SMILES

CCCSC1=NC(=CC2=CC=CC=C21)C(=O)O

InChI

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