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

Systemtic Name: N-(4-cyanophenyl)-2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethanamide Openeye Name: N-(4-cyanophenyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide CAS Name: N-(4-cyanophenyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide IUPAC Name: N-(4-cyanophenyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide Traditional Name: N-(4-cyanophenyl)-2-(1,1,3-triketo-1,2-benzothiazol-2-yl)acetamide Formula: C16H11N3O4S MolecularWeight: 341.34124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CC(=O)NC3=CC=C(C=C3)C#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CC(=O)NC3=CC=C(C=C3)C#N

InChI

InChI=1S/C16H11N3O4S/c17-9-11-5-7-12(8-6-11)18-15(20)10-19-16(21)13-3-1-2-4-14(13)24(19,22)23/h1-8H,10H2,(H,18,20)