2-(1,5,6,10b-tetrahydroimidazo[5,1-a]isoquinolin-3-ylsulfanyl)ethanoic acid

Systemtic Name: 2-(1,5,6,10b-tetrahydroimidazo[5,1-a]isoquinolin-3-ylsulfanyl)ethanoic acid Openeye Name: 2-(1,5,6,10b-tetrahydroimidazo[5,1-a]isoquinolin-3-ylsulfanyl)acetic acid CAS Name: 2-(1,5,6,10b-tetrahydroimidazo[5,1-a]isoquinolin-3-ylthio)acetic acid IUPAC Name: 2-(1,5,6,10b-tetrahydroimidazo[5,1-a]isoquinolin-3-ylsulfanyl)acetic acid Traditional Name: 2-(1,5,6,10b-tetrahydroimidaz[5,1-a]isoquinolin-3-ylthio)acetic acid Formula: C13H14N2O2S MolecularWeight: 262.32746

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2C(CN=C2SCC(=O)O)C3=CC=CC=C31

Isomeric SMILES

C1CN2C(CN=C2SCC(=O)O)C3=CC=CC=C31

InChI

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