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

Systemtic Name: 1-(3-methylsulfanylpropanoyl)-2,3-dihydroindole-5-carboxylic acid Openeye Name: 1-(3-methylsulfanylpropanoyl)indoline-5-carboxylic acid CAS Name: 1-[3-(methylthio)-1-oxopropyl]-2,3-dihydroindole-5-carboxylic acid IUPAC Name: 1-(3-methylsulfanylpropanoyl)-2,3-dihydroindole-5-carboxylic acid Traditional Name: 1-[3-(methylthio)propanoyl]indoline-5-carboxylic acid Formula: C13H15NO3S MolecularWeight: 265.3281

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO3S/c1-18-7-5-12(15)14-6-4-9-8-10(13(16)17)2-3-11(9)14/h2-3,8H,4-7H2,1H3,(H,16,17)