1-(2-tert-butylsulfanylethanoyl)-2,3-dihydroindole-5-carboxylic acid

Systemtic Name: 1-(2-tert-butylsulfanylethanoyl)-2,3-dihydroindole-5-carboxylic acid Openeye Name: 1-(2-tert-butylsulfanylacetyl)indoline-5-carboxylic acid CAS Name: 1-[2-(tert-butylthio)-1-oxoethyl]-2,3-dihydroindole-5-carboxylic acid IUPAC Name: 1-(2-tert-butylsulfanylacetyl)-2,3-dihydroindole-5-carboxylic acid Traditional Name: 1-[2-(tert-butylthio)acetyl]indoline-5-carboxylic acid Formula: C15H19NO3S MolecularWeight: 293.38126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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