2-[2-(cyanomethyl)-1,3-thiazol-4-yl]ethanoic acid

Systemtic Name: 2-[2-(cyanomethyl)-1,3-thiazol-4-yl]ethanoic acid Openeye Name: 2-[2-(cyanomethyl)thiazol-4-yl]acetic acid CAS Name: 2-[2-(cyanomethyl)-4-thiazolyl]acetic acid IUPAC Name: 2-[2-(cyanomethyl)-1,3-thiazol-4-yl]acetic acid Traditional Name: 2-[2-(cyanomethyl)thiazol-4-yl]acetic acid Formula: C7H6N2O2S MolecularWeight: 182.19974

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(N=C(S1)CC#N)CC(=O)O

Isomeric SMILES

C1=C(N=C(S1)CC#N)CC(=O)O

InChI

InChI=1S/C7H6N2O2S/c8-2-1-6-9-5(4-12-6)3-7(10)11/h4H,1,3H2,(H,10,11)