1-(2-oxidanylidene-1-sulfanyl-propyl)-2,3-dihydroindole-2-carboxylic acid

Systemtic Name: 1-(2-oxidanylidene-1-sulfanyl-propyl)-2,3-dihydroindole-2-carboxylic acid Openeye Name: 1-(2-oxo-1-sulfanyl-propyl)indoline-2-carboxylic acid CAS Name: 1-(1-mercapto-2-oxopropyl)-2,3-dihydroindole-2-carboxylic acid IUPAC Name: 1-(2-oxo-1-sulfanylpropyl)-2,3-dihydroindole-2-carboxylic acid Traditional Name: 1-(2-keto-1-mercapto-propyl)indoline-2-carboxylic acid Formula: C12H13NO3S MolecularWeight: 251.30152

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(N1C(CC2=CC=CC=C21)C(=O)O)S

Isomeric SMILES

CC(=O)C(N1C(CC2=CC=CC=C21)C(=O)O)S

InChI

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