2-(2-isoquinolin-7-ylsulfanylethylamino)ethanoic acid

Systemtic Name: 2-(2-isoquinolin-7-ylsulfanylethylamino)ethanoic acid Openeye Name: 2-[2-(7-isoquinolylsulfanyl)ethylamino]acetic acid CAS Name: 2-[2-(7-isoquinolinylthio)ethylamino]acetic acid IUPAC Name: 2-(2-isoquinolin-7-ylsulfanylethylamino)acetic acid Traditional Name: 2-[2-(7-isoquinolylthio)ethylamino]acetic acid Formula: C13H14N2O2S MolecularWeight: 262.32746

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC2=C1C=CN=C2)SCCNCC(=O)O

Isomeric SMILES

C1=CC(=CC2=C1C=CN=C2)SCCNCC(=O)O

InChI

InChI=1S/C13H14N2O2S/c16-13(17)9-15-5-6-18-12-2-1-10-3-4-14-8-11(10)7-12/h1-4,7-8,15H,5-6,9H2,(H,16,17)