2-(furan-2-ylmethylsulfanyl)-3-methyl-butanoic acid

Systemtic Name: 2-(furan-2-ylmethylsulfanyl)-3-methyl-butanoic acid Openeye Name: 2-(2-furylmethylsulfanyl)-3-methyl-butanoic acid CAS Name: 2-(2-furanylmethylthio)-3-methylbutanoic acid IUPAC Name: 2-(furan-2-ylmethylsulfanyl)-3-methylbutanoic acid Traditional Name: 2-(2-furfurylthio)-3-methyl-butyric acid Formula: C10H14O3S MolecularWeight: 214.28136

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)SCC1=CC=CO1

Isomeric SMILES

CC(C)C(C(=O)O)SCC1=CC=CO1

InChI

InChI=1S/C10H14O3S/c1-7(2)9(10(11)12)14-6-8-4-3-5-13-8/h3-5,7,9H,6H2,1-2H3,(H,11,12)