ethyl 2-cyano-2-(5-methyl-1,2-benzothiazol-3-yl)ethanoate

Systemtic Name: ethyl 2-cyano-2-(5-methyl-1,2-benzothiazol-3-yl)ethanoate Openeye Name: ethyl 2-cyano-2-(5-methyl-1,2-benzothiazol-3-yl)acetate CAS Name: 2-cyano-2-(5-methyl-1,2-benzothiazol-3-yl)acetic acid ethyl ester IUPAC Name: ethyl 2-cyano-2-(5-methyl-1,2-benzothiazol-3-yl)acetate Traditional Name: 2-cyano-2-(5-methyl-1,2-benzothiazol-3-yl)acetic acid ethyl ester Formula: C13H12N2O2S MolecularWeight: 260.31158

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C#N)C1=NSC2=C1C=C(C=C2)C

Isomeric SMILES

CCOC(=O)C(C#N)C1=NSC2=C1C=C(C=C2)C

InChI

InChI=1S/C13H12N2O2S/c1-3-17-13(16)10(7-14)12-9-6-8(2)4-5-11(9)18-15-12/h4-6,10H,3H2,1-2H3