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

Systemtic Name: benzene; 2-[3-(1-cyanoethyl)thiophen-2-yl]ethanoic acid Openeye Name: benzene; 2-[3-(1-cyanoethyl)-2-thienyl]acetic acid CAS Name: benzene; 2-[3-(1-cyanoethyl)-2-thiophenyl]acetic acid IUPAC Name: benzene; 2-[3-(1-cyanoethyl)thiophen-2-yl]acetic acid Traditional Name: benzene; 2-[3-(1-cyanoethyl)-2-thienyl]acetic acid Formula: C15H15NO2S MolecularWeight: 273.3501

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H9NO2S.C6H6/c1-6(5-10)7-2-3-13-8(7)4-9(11)12;1-2-4-6-5-3-1/h2-3,6H,4H2,1H3,(H,11,12);1-6H