3-(2-cyano-1-benzothiophen-5-yl)propanoic acid

Systemtic Name: 3-(2-cyano-1-benzothiophen-5-yl)propanoic acid Openeye Name: 3-(2-cyanobenzothiophen-5-yl)propanoic acid CAS Name: 3-(2-cyano-1-benzothiophen-5-yl)propanoic acid IUPAC Name: 3-(2-cyano-1-benzothiophen-5-yl)propanoic acid Traditional Name: 3-(2-cyanobenzothiophen-5-yl)propionic acid Formula: C12H9NO2S MolecularWeight: 231.27036

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1CCC(=O)O)C=C(S2)C#N

Isomeric SMILES

C1=CC2=C(C=C1CCC(=O)O)C=C(S2)C#N

InChI

InChI=1S/C12H9NO2S/c13-7-10-6-9-5-8(2-4-12(14)15)1-3-11(9)16-10/h1,3,5-6H,2,4H2,(H,14,15)