N-(2-cyanoethyl)-N-methyl-2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethanamide

Systemtic Name: N-(2-cyanoethyl)-N-methyl-2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethanamide Openeye Name: N-(2-cyanoethyl)-N-methyl-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide CAS Name: N-(2-cyanoethyl)-N-methyl-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide IUPAC Name: N-(2-cyanoethyl)-N-methyl-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide Traditional Name: N-(2-cyanoethyl)-N-methyl-2-(1,1,3-triketo-1,2-benzothiazol-2-yl)acetamide Formula: C13H13N3O4S MolecularWeight: 307.32502

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C(=O)CN1C(=O)C2=CC=CC=C2S1(=O)=O

Isomeric SMILES

CN(CCC#N)C(=O)CN1C(=O)C2=CC=CC=C2S1(=O)=O

InChI

InChI=1S/C13H13N3O4S/c1-15(8-4-7-14)12(17)9-16-13(18)10-5-2-3-6-11(10)21(16,19)20/h2-3,5-6H,4,8-9H2,1H3