1-ethylsulfanylisoquinoline-3-carboxylic acid

Systemtic Name: 1-ethylsulfanylisoquinoline-3-carboxylic acid Openeye Name: 1-ethylsulfanylisoquinoline-3-carboxylic acid CAS Name: 1-(ethylthio)-3-isoquinolinecarboxylic acid IUPAC Name: 1-ethylsulfanylisoquinoline-3-carboxylic acid Traditional Name: 1-(ethylthio)isoquinoline-3-carboxylic acid Formula: C12H11NO2S MolecularWeight: 233.28624

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC(=CC2=CC=CC=C21)C(=O)O

Isomeric SMILES

CCSC1=NC(=CC2=CC=CC=C21)C(=O)O

InChI

InChI=1S/C12H11NO2S/c1-2-16-11-9-6-4-3-5-8(9)7-10(13-11)12(14)15/h3-7H,2H2,1H3,(H,14,15)