4-(1-methylindol-3-yl)sulfanylbutanoic acid

Systemtic Name: 4-(1-methylindol-3-yl)sulfanylbutanoic acid Openeye Name: 4-(1-methylindol-3-yl)sulfanylbutanoic acid CAS Name: 4-[(1-methyl-3-indolyl)thio]butanoic acid IUPAC Name: 4-(1-methylindol-3-yl)sulfanylbutanoic acid Traditional Name: 4-[(1-methylindol-3-yl)thio]butyric acid Formula: C13H15NO2S MolecularWeight: 249.3287

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO2S/c1-14-9-12(17-8-4-7-13(15)16)10-5-2-3-6-11(10)14/h2-3,5-6,9H,4,7-8H2,1H3,(H,15,16)