[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 1,3-benzothiazole-6-carboxylate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 1,3-benzothiazole-6-carboxylate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 1,3-benzothiazole-6-carboxylate CAS Name: 1,3-benzothiazole-6-carboxylic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 1,3-benzothiazole-6-carboxylate Traditional Name: 1,3-benzothiazole-6-carboxylic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C13H11N3O3S MolecularWeight: 289.30974

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(=O)OCC(=O)NCCC#N)SC=N2

Isomeric SMILES

C1=CC2=C(C=C1C(=O)OCC(=O)NCCC#N)SC=N2

InChI

InChI=1S/C13H11N3O3S/c14-4-1-5-15-12(17)7-19-13(18)9-2-3-10-11(6-9)20-8-16-10/h2-3,6,8H,1,5,7H2,(H,15,17)