1-(2,2-dimethyl-3-sulfanyl-propanoyl)-2,3-dihydroindole-2-carboxylic acid

Systemtic Name: 1-(2,2-dimethyl-3-sulfanyl-propanoyl)-2,3-dihydroindole-2-carboxylic acid Openeye Name: 1-(2,2-dimethyl-3-sulfanyl-propanoyl)indoline-2-carboxylic acid CAS Name: 1-(3-mercapto-2,2-dimethyl-1-oxopropyl)-2,3-dihydroindole-2-carboxylic acid IUPAC Name: 1-(2,2-dimethyl-3-sulfanylpropanoyl)-2,3-dihydroindole-2-carboxylic acid Traditional Name: 1-(3-mercapto-2,2-dimethyl-propanoyl)indoline-2-carboxylic acid Formula: C14H17NO3S MolecularWeight: 279.35468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17NO3S/c1-14(2,8-19)13(18)15-10-6-4-3-5-9(10)7-11(15)12(16)17/h3-6,11,19H,7-8H2,1-2H3,(H,16,17)