2-(5-pentanoylthiophen-2-yl)sulfanylethanoic acid

Systemtic Name: 2-(5-pentanoylthiophen-2-yl)sulfanylethanoic acid Openeye Name: 2-[(5-pentanoyl-2-thienyl)sulfanyl]acetic acid CAS Name: 2-[[5-(1-oxopentyl)-2-thiophenyl]thio]acetic acid IUPAC Name: 2-(5-pentanoylthiophen-2-yl)sulfanylacetic acid Traditional Name: 2-[(5-valeryl-2-thienyl)thio]acetic acid Formula: C11H14O3S2 MolecularWeight: 258.35706

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)C1=CC=C(S1)SCC(=O)O

Isomeric SMILES

CCCCC(=O)C1=CC=C(S1)SCC(=O)O

InChI

InChI=1S/C11H14O3S2/c1-2-3-4-8(12)9-5-6-11(16-9)15-7-10(13)14/h5-6H,2-4,7H2,1H3,(H,13,14)