2-[(1-ethanoyl-2,3-dihydroindol-5-yl)sulfanyl]ethanoic acid

Systemtic Name: 2-[(1-ethanoyl-2,3-dihydroindol-5-yl)sulfanyl]ethanoic acid Openeye Name: 2-(1-acetylindolin-5-yl)sulfanylacetic acid CAS Name: 2-[(1-acetyl-2,3-dihydroindol-5-yl)thio]acetic acid IUPAC Name: 2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfanyl]acetic acid Traditional Name: 2-[(1-acetylindolin-5-yl)thio]acetic acid Formula: C12H13NO3S MolecularWeight: 251.30152

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC2=C1C=CC(=C2)SCC(=O)O

Isomeric SMILES

CC(=O)N1CCC2=C1C=CC(=C2)SCC(=O)O

InChI

InChI=1S/C12H13NO3S/c1-8(14)13-5-4-9-6-10(2-3-11(9)13)17-7-12(15)16/h2-3,6H,4-5,7H2,1H3,(H,15,16)