methyl 2-(cyanomethyl)-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 2-(cyanomethyl)-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-(cyanomethyl)-1,3-benzothiazole-6-carboxylate CAS Name: 2-(cyanomethyl)-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-(cyanomethyl)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(cyanomethyl)-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C11H8N2O2S MolecularWeight: 232.25842

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H8N2O2S/c1-15-11(14)7-2-3-8-9(6-7)16-10(13-8)4-5-12/h2-3,6H,4H2,1H3