ethyl 2-(1,2-benzothiazol-3-yl)-2-cyano-ethanoate

Systemtic Name: ethyl 2-(1,2-benzothiazol-3-yl)-2-cyano-ethanoate Openeye Name: ethyl 2-(1,2-benzothiazol-3-yl)-2-cyano-acetate CAS Name: 2-(1,2-benzothiazol-3-yl)-2-cyanoacetic acid ethyl ester IUPAC Name: ethyl 2-(1,2-benzothiazol-3-yl)-2-cyanoacetate Traditional Name: 2-(1,2-benzothiazol-3-yl)-2-cyano-acetic acid ethyl ester Formula: C12H10N2O2S MolecularWeight: 246.285

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C#N)C1=NSC2=CC=CC=C21

Isomeric SMILES

CCOC(=O)C(C#N)C1=NSC2=CC=CC=C21

InChI

InChI=1S/C12H10N2O2S/c1-2-16-12(15)9(7-13)11-8-5-3-4-6-10(8)17-14-11/h3-6,9H,2H2,1H3