2-(cyanomethyl)-1,3-benzothiazole-5-carboxylic acid

Systemtic Name: 2-(cyanomethyl)-1,3-benzothiazole-5-carboxylic acid Openeye Name: 2-(cyanomethyl)-1,3-benzothiazole-5-carboxylic acid CAS Name: 2-(cyanomethyl)-1,3-benzothiazole-5-carboxylic acid IUPAC Name: 2-(cyanomethyl)-1,3-benzothiazole-5-carboxylic acid Traditional Name: 2-(cyanomethyl)-1,3-benzothiazole-5-carboxylic acid Formula: C10H6N2O2S MolecularWeight: 218.23184

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(=O)O)N=C(S2)CC#N

Isomeric SMILES

C1=CC2=C(C=C1C(=O)O)N=C(S2)CC#N

InChI

InChI=1S/C10H6N2O2S/c11-4-3-9-12-7-5-6(10(13)14)1-2-8(7)15-9/h1-2,5H,3H2,(H,13,14)