3-cyano-2-(3-ethyl-5-methyl-thiophen-2-yl)propanoic acid

Systemtic Name: 3-cyano-2-(3-ethyl-5-methyl-thiophen-2-yl)propanoic acid Openeye Name: 3-cyano-2-(3-ethyl-5-methyl-2-thienyl)propanoic acid CAS Name: 3-cyano-2-(3-ethyl-5-methyl-2-thiophenyl)propanoic acid IUPAC Name: 3-cyano-2-(3-ethyl-5-methylthiophen-2-yl)propanoic acid Traditional Name: 3-cyano-2-(3-ethyl-5-methyl-2-thienyl)propionic acid Formula: C11H13NO2S MolecularWeight: 223.29142

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1)C)C(CC#N)C(=O)O

Isomeric SMILES

CCC1=C(SC(=C1)C)C(CC#N)C(=O)O

InChI

InChI=1S/C11H13NO2S/c1-3-8-6-7(2)15-10(8)9(4-5-12)11(13)14/h6,9H,3-4H2,1-2H3,(H,13,14)