2-(5-methoxy-1-methyl-3-methylsulfanyl-indol-2-yl)ethanoic acid

Systemtic Name: 2-(5-methoxy-1-methyl-3-methylsulfanyl-indol-2-yl)ethanoic acid Openeye Name: 2-(5-methoxy-1-methyl-3-methylsulfanyl-indol-2-yl)acetic acid CAS Name: 2-[5-methoxy-1-methyl-3-(methylthio)-2-indolyl]acetic acid IUPAC Name: 2-(5-methoxy-1-methyl-3-methylsulfanylindol-2-yl)acetic acid Traditional Name: 2-[5-methoxy-1-methyl-3-(methylthio)indol-2-yl]acetic acid Formula: C13H15NO3S MolecularWeight: 265.3281

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)OC)C(=C1CC(=O)O)SC

Isomeric SMILES

CN1C2=C(C=C(C=C2)OC)C(=C1CC(=O)O)SC

InChI

InChI=1S/C13H15NO3S/c1-14-10-5-4-8(17-2)6-9(10)13(18-3)11(14)7-12(15)16/h4-6H,7H2,1-3H3,(H,15,16)