2-(3-sulfanylpropanoyl)-1,3-dihydroisoindole-1-carboxylic acid

Systemtic Name: 2-(3-sulfanylpropanoyl)-1,3-dihydroisoindole-1-carboxylic acid Openeye Name: 2-(3-sulfanylpropanoyl)isoindoline-1-carboxylic acid CAS Name: 2-(3-mercapto-1-oxopropyl)-1,3-dihydroisoindole-1-carboxylic acid IUPAC Name: 2-(3-sulfanylpropanoyl)-1,3-dihydroisoindole-1-carboxylic acid Traditional Name: 2-(3-mercaptopropanoyl)isoindoline-1-carboxylic acid Formula: C12H13NO3S MolecularWeight: 251.30152

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(N1C(=O)CCS)C(=O)O

Isomeric SMILES

C1C2=CC=CC=C2C(N1C(=O)CCS)C(=O)O

InChI

InChI=1S/C12H13NO3S/c14-10(5-6-17)13-7-8-3-1-2-4-9(8)11(13)12(15)16/h1-4,11,17H,5-7H2,(H,15,16)