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

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

Systemtic Name:3-(1-methylindol-2-yl)sulfanylbutanoic acid
Openeye Name:3-(1-methylindol-2-yl)sulfanylbutanoic acid
CAS Name:3-[(1-methyl-2-indolyl)thio]butanoic acid
IUPAC Name:3-(1-methylindol-2-yl)sulfanylbutanoic acid
Traditional Name:3-[(1-methylindol-2-yl)thio]butyric acid
Formula: C13H15NO2S
MolecularWeight: 249.3287
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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)SC1=CC2=CC=CC=C2N1C


Isomeric SMILES

CC(CC(=O)O)SC1=CC2=CC=CC=C2N1C


InChI

InChI=1S/C13H15NO2S/c1-9(7-13(15)16)17-12-8-10-5-3-4-6-11(10)14(12)2/h3-6,8-9H,7H2,1-2H3,(H,15,16)


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