2-(isoquinolin-1-ylmethyl)-3-sulfanyl-propanoic acid

Systemtic Name: 2-(isoquinolin-1-ylmethyl)-3-sulfanyl-propanoic acid Openeye Name: 2-(1-isoquinolylmethyl)-3-sulfanyl-propanoic acid CAS Name: 2-(1-isoquinolinylmethyl)-3-mercaptopropanoic acid IUPAC Name: 2-(isoquinolin-1-ylmethyl)-3-sulfanylpropanoic acid Traditional Name: 2-(1-isoquinolylmethyl)-3-mercapto-propionic acid Formula: C13H13NO2S MolecularWeight: 247.31282

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CN=C2CC(CS)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CN=C2CC(CS)C(=O)O

InChI

InChI=1S/C13H13NO2S/c15-13(16)10(8-17)7-12-11-4-2-1-3-9(11)5-6-14-12/h1-6,10,17H,7-8H2,(H,15,16)