3-isoquinolin-1-yl-2-sulfanyl-propanoic acid

Systemtic Name: 3-isoquinolin-1-yl-2-sulfanyl-propanoic acid Openeye Name: 3-(1-isoquinolyl)-2-sulfanyl-propanoic acid CAS Name: 3-(1-isoquinolinyl)-2-mercaptopropanoic acid IUPAC Name: 3-isoquinolin-1-yl-2-sulfanylpropanoic acid Traditional Name: 3-(1-isoquinolyl)-2-mercapto-propionic acid Formula: C12H11NO2S MolecularWeight: 233.28624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11NO2S/c14-12(15)11(16)7-10-9-4-2-1-3-8(9)5-6-13-10/h1-6,11,16H,7H2,(H,14,15)