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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C21)SCCC(=O)O

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)SCCC(=O)O

InChI

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