6-methylsulfanyl-1-propan-2-yl-indole-3-carboxylic acid

Systemtic Name: 6-methylsulfanyl-1-propan-2-yl-indole-3-carboxylic acid Openeye Name: 1-isopropyl-6-methylsulfanyl-indole-3-carboxylic acid CAS Name: 6-(methylthio)-1-propan-2-yl-3-indolecarboxylic acid IUPAC Name: 6-methylsulfanyl-1-propan-2-ylindole-3-carboxylic acid Traditional Name: 1-isopropyl-6-(methylthio)indole-3-carboxylic acid Formula: C13H15NO2S MolecularWeight: 249.3287

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=C(C2=C1C=C(C=C2)SC)C(=O)O

Isomeric SMILES

CC(C)N1C=C(C2=C1C=C(C=C2)SC)C(=O)O

InChI

InChI=1S/C13H15NO2S/c1-8(2)14-7-11(13(15)16)10-5-4-9(17-3)6-12(10)14/h4-8H,1-3H3,(H,15,16)