N-(prop-2-enylcarbamoyl)-2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethanamide

Systemtic Name: N-(prop-2-enylcarbamoyl)-2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethanamide Openeye Name: N-(allylcarbamoyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide CAS Name: N-[oxo-(prop-2-enylamino)methyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide IUPAC Name: N-(prop-2-enylcarbamoyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide Traditional Name: N-(allylcarbamoyl)-2-(1,1,3-triketo-1,2-benzothiazol-2-yl)acetamide Formula: C13H13N3O5S MolecularWeight: 323.32442

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)NC(=O)CN1C(=O)C2=CC=CC=C2S1(=O)=O

Isomeric SMILES

C=CCNC(=O)NC(=O)CN1C(=O)C2=CC=CC=C2S1(=O)=O

InChI

InChI=1S/C13H13N3O5S/c1-2-7-14-13(19)15-11(17)8-16-12(18)9-5-3-4-6-10(9)22(16,20)21/h2-6H,1,7-8H2,(H2,14,15,17,19)