1-(2-propan-2-ylsulfanylethanoyl)-2,3-dihydroindole-5-carboxylic acid

Systemtic Name: 1-(2-propan-2-ylsulfanylethanoyl)-2,3-dihydroindole-5-carboxylic acid Openeye Name: 1-(2-isopropylsulfanylacetyl)indoline-5-carboxylic acid CAS Name: 1-[1-oxo-2-(propan-2-ylthio)ethyl]-2,3-dihydroindole-5-carboxylic acid IUPAC Name: 1-(2-propan-2-ylsulfanylacetyl)-2,3-dihydroindole-5-carboxylic acid Traditional Name: 1-[2-(isopropylthio)acetyl]indoline-5-carboxylic acid Formula: C14H17NO3S MolecularWeight: 279.35468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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