N-(pyridin-3-ylmethyl)-2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethanamide

Systemtic Name: N-(pyridin-3-ylmethyl)-2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethanamide Openeye Name: N-(3-pyridylmethyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide CAS Name: N-(3-pyridinylmethyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide IUPAC Name: N-(pyridin-3-ylmethyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide Traditional Name: N-(3-pyridylmethyl)-2-(1,1,3-triketo-1,2-benzothiazol-2-yl)acetamide Formula: C15H13N3O4S MolecularWeight: 331.34642

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CC(=O)NCC3=CN=CC=C3

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CC(=O)NCC3=CN=CC=C3

InChI

InChI=1S/C15H13N3O4S/c19-14(17-9-11-4-3-7-16-8-11)10-18-15(20)12-5-1-2-6-13(12)23(18,21)22/h1-8H,9-10H2,(H,17,19)