N-(pyridin-4-ylmethyl)-2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethanamide

Systemtic Name: N-(pyridin-4-ylmethyl)-2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethanamide Openeye Name: N-(4-pyridylmethyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide CAS Name: N-(pyridin-4-ylmethyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide IUPAC Name: N-(pyridin-4-ylmethyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide Traditional Name: N-(4-pyridylmethyl)-2-(1,1,3-triketo-1,2-benzothiazol-2-yl)acetamide Formula: C15H13N3O4S MolecularWeight: 331.34642

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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