3,3-dimethyl-1-(2-methyl-3-sulfanyl-propanoyl)-2H-indole-2-carboxylic acid

Systemtic Name: 3,3-dimethyl-1-(2-methyl-3-sulfanyl-propanoyl)-2H-indole-2-carboxylic acid Openeye Name: 3,3-dimethyl-1-(2-methyl-3-sulfanyl-propanoyl)indoline-2-carboxylic acid CAS Name: 1-(3-mercapto-2-methyl-1-oxopropyl)-3,3-dimethyl-2H-indole-2-carboxylic acid IUPAC Name: 3,3-dimethyl-1-(2-methyl-3-sulfanylpropanoyl)-2H-indole-2-carboxylic acid Traditional Name: 1-(3-mercapto-2-methyl-propanoyl)-3,3-dimethyl-indoline-2-carboxylic acid Formula: C15H19NO3S MolecularWeight: 293.38126

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Descriptors Computed from Structure

Canonical SMILES:

CC(CS)C(=O)N1C(C(C2=CC=CC=C21)(C)C)C(=O)O

Isomeric SMILES

CC(CS)C(=O)N1C(C(C2=CC=CC=C21)(C)C)C(=O)O

InChI

InChI=1S/C15H19NO3S/c1-9(8-20)13(17)16-11-7-5-4-6-10(11)15(2,3)12(16)14(18)19/h4-7,9,12,20H,8H2,1-3H3,(H,18,19)