2-(1,3-dihydroisoindol-2-yl)-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-(1,3-dihydroisoindol-2-yl)-4-methylsulfanyl-butanoic acid Openeye Name: 2-isoindolin-2-yl-4-methylsulfanyl-butanoic acid CAS Name: 2-(1,3-dihydroisoindol-2-yl)-4-(methylthio)butanoic acid IUPAC Name: 2-(1,3-dihydroisoindol-2-yl)-4-methylsulfanylbutanoic acid Traditional Name: 2-isoindolin-2-yl-4-(methylthio)butyric acid Formula: C13H17NO2S MolecularWeight: 251.34458

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)N1CC2=CC=CC=C2C1

Isomeric SMILES

CSCCC(C(=O)O)N1CC2=CC=CC=C2C1

InChI

InChI=1S/C13H17NO2S/c1-17-7-6-12(13(15)16)14-8-10-4-2-3-5-11(10)9-14/h2-5,12H,6-9H2,1H3,(H,15,16)