1-(2-methyl-3-sulfanyl-propanoyl)-5-oxidanyl-2,3-dihydroindole-2-carboxylic acid

Systemtic Name: 1-(2-methyl-3-sulfanyl-propanoyl)-5-oxidanyl-2,3-dihydroindole-2-carboxylic acid Openeye Name: 5-hydroxy-1-(2-methyl-3-sulfanyl-propanoyl)indoline-2-carboxylic acid CAS Name: 5-hydroxy-1-(3-mercapto-2-methyl-1-oxopropyl)-2,3-dihydroindole-2-carboxylic acid IUPAC Name: 5-hydroxy-1-(2-methyl-3-sulfanylpropanoyl)-2,3-dihydroindole-2-carboxylic acid Traditional Name: 5-hydroxy-1-(3-mercapto-2-methyl-propanoyl)indoline-2-carboxylic acid Formula: C13H15NO4S MolecularWeight: 281.3275

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Descriptors Computed from Structure

Canonical SMILES:

CC(CS)C(=O)N1C(CC2=C1C=CC(=C2)O)C(=O)O

Isomeric SMILES

CC(CS)C(=O)N1C(CC2=C1C=CC(=C2)O)C(=O)O

InChI

InChI=1S/C13H15NO4S/c1-7(6-19)12(16)14-10-3-2-9(15)4-8(10)5-11(14)13(17)18/h2-4,7,11,15,19H,5-6H2,1H3,(H,17,18)