3-(1-methylindol-2-yl)sulfanylpropanoic acid

Systemtic Name: 3-(1-methylindol-2-yl)sulfanylpropanoic acid Openeye Name: 3-(1-methylindol-2-yl)sulfanylpropanoic acid CAS Name: 3-[(1-methyl-2-indolyl)thio]propanoic acid IUPAC Name: 3-(1-methylindol-2-yl)sulfanylpropanoic acid Traditional Name: 3-[(1-methylindol-2-yl)thio]propionic acid Formula: C12H13NO2S MolecularWeight: 235.30212

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C=C1SCCC(=O)O

Isomeric SMILES

CN1C2=CC=CC=C2C=C1SCCC(=O)O

InChI

InChI=1S/C12H13NO2S/c1-13-10-5-3-2-4-9(10)8-11(13)16-7-6-12(14)15/h2-5,8H,6-7H2,1H3,(H,14,15)