1-(2-methoxyethylsulfanyl)isoquinoline-3-carboxylic acid

Systemtic Name: 1-(2-methoxyethylsulfanyl)isoquinoline-3-carboxylic acid Openeye Name: 1-(2-methoxyethylsulfanyl)isoquinoline-3-carboxylic acid CAS Name: 1-(2-methoxyethylthio)-3-isoquinolinecarboxylic acid IUPAC Name: 1-(2-methoxyethylsulfanyl)isoquinoline-3-carboxylic acid Traditional Name: 1-(2-methoxyethylthio)isoquinoline-3-carboxylic acid Formula: C13H13NO3S MolecularWeight: 263.31222

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Descriptors Computed from Structure

Canonical SMILES:

COCCSC1=NC(=CC2=CC=CC=C21)C(=O)O

Isomeric SMILES

COCCSC1=NC(=CC2=CC=CC=C21)C(=O)O

InChI

InChI=1S/C13H13NO3S/c1-17-6-7-18-12-10-5-3-2-4-9(10)8-11(14-12)13(15)16/h2-5,8H,6-7H2,1H3,(H,15,16)