methyl 2-(2,3,3a,4-tetrahydro-1,3-benzothiazol-2-yl)-2-cyano-ethanoate

Systemtic Name: methyl 2-(2,3,3a,4-tetrahydro-1,3-benzothiazol-2-yl)-2-cyano-ethanoate Openeye Name: methyl 2-(2,3,3a,4-tetrahydro-1,3-benzothiazol-2-yl)-2-cyano-acetate CAS Name: 2-(2,3,3a,4-tetrahydro-1,3-benzothiazol-2-yl)-2-cyanoacetic acid methyl ester IUPAC Name: methyl 2-(2,3,3a,4-tetrahydro-1,3-benzothiazol-2-yl)-2-cyanoacetate Traditional Name: 2-(2,3,3a,4-tetrahydro-1,3-benzothiazol-2-yl)-2-cyano-acetic acid methyl ester Formula: C11H12N2O2S MolecularWeight: 236.29018

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C#N)C1NC2CC=CC=C2S1

Isomeric SMILES

COC(=O)C(C#N)C1NC2CC=CC=C2S1

InChI

InChI=1S/C11H12N2O2S/c1-15-11(14)7(6-12)10-13-8-4-2-3-5-9(8)16-10/h2-3,5,7-8,10,13H,4H2,1H3