[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl] 2-cyanoethanoate

Systemtic Name: [2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl] 2-cyanoethanoate Openeye Name: [2-(1,3-benzothiazol-2-ylamino)-2-oxo-ethyl] 2-cyanoacetate CAS Name: 2-cyanoacetic acid [2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl] 2-cyanoacetate Traditional Name: 2-cyanoacetic acid [2-(1,3-benzothiazol-2-ylamino)-2-keto-ethyl] ester Formula: C12H9N3O3S MolecularWeight: 275.28316

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)NC(=O)COC(=O)CC#N

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)NC(=O)COC(=O)CC#N

InChI

InChI=1S/C12H9N3O3S/c13-6-5-11(17)18-7-10(16)15-12-14-8-3-1-2-4-9(8)19-12/h1-4H,5,7H2,(H,14,15,16)