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

Systemtic Name: 2-(3-ethanoylsulfanylpropanoyl)-1,3-dihydroisoindole-1-carboxylic acid Openeye Name: 2-(3-acetylsulfanylpropanoyl)isoindoline-1-carboxylic acid CAS Name: 2-[3-(acetylthio)-1-oxopropyl]-1,3-dihydroisoindole-1-carboxylic acid IUPAC Name: 2-(3-acetylsulfanylpropanoyl)-1,3-dihydroisoindole-1-carboxylic acid Traditional Name: 2-[3-(acetylthio)propanoyl]isoindoline-1-carboxylic acid Formula: C14H15NO4S MolecularWeight: 293.3382

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCC(=O)N1CC2=CC=CC=C2C1C(=O)O

Isomeric SMILES

CC(=O)SCCC(=O)N1CC2=CC=CC=C2C1C(=O)O

InChI

InChI=1S/C14H15NO4S/c1-9(16)20-7-6-12(17)15-8-10-4-2-3-5-11(10)13(15)14(18)19/h2-5,13H,6-8H2,1H3,(H,18,19)