1-(2-methylsulfanylethanoyl)-2,3-dihydroindole-5-carboxylic acid

Systemtic Name: 1-(2-methylsulfanylethanoyl)-2,3-dihydroindole-5-carboxylic acid Openeye Name: 1-(2-methylsulfanylacetyl)indoline-5-carboxylic acid CAS Name: 1-[2-(methylthio)-1-oxoethyl]-2,3-dihydroindole-5-carboxylic acid IUPAC Name: 1-(2-methylsulfanylacetyl)-2,3-dihydroindole-5-carboxylic acid Traditional Name: 1-[2-(methylthio)acetyl]indoline-5-carboxylic acid Formula: C12H13NO3S MolecularWeight: 251.30152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO3S/c1-17-7-11(14)13-5-4-8-6-9(12(15)16)2-3-10(8)13/h2-3,6H,4-5,7H2,1H3,(H,15,16)