2-[3-(1-cyanoethyl)thiophen-2-yl]ethanoic acid

Systemtic Name: 2-[3-(1-cyanoethyl)thiophen-2-yl]ethanoic acid Openeye Name: 2-[3-(1-cyanoethyl)-2-thienyl]acetic acid CAS Name: 2-[3-(1-cyanoethyl)-2-thiophenyl]acetic acid IUPAC Name: 2-[3-(1-cyanoethyl)thiophen-2-yl]acetic acid Traditional Name: 2-[3-(1-cyanoethyl)-2-thienyl]acetic acid Formula: C9H9NO2S MolecularWeight: 195.23826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H9NO2S/c1-6(5-10)7-2-3-13-8(7)4-9(11)12/h2-3,6H,4H2,1H3,(H,11,12)