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

Systemtic Name: N-(pyridin-2-ylmethyl)-3-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]propanamide Openeye Name: N-(2-pyridylmethyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide CAS Name: N-(2-pyridinylmethyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide IUPAC Name: N-(pyridin-2-ylmethyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide Traditional Name: N-(2-pyridylmethyl)-3-(1,1,3-triketo-1,2-benzothiazol-2-yl)propionamide Formula: C16H15N3O4S MolecularWeight: 345.373

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CCC(=O)NCC3=CC=CC=N3

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CCC(=O)NCC3=CC=CC=N3

InChI

InChI=1S/C16H15N3O4S/c20-15(18-11-12-5-3-4-9-17-12)8-10-19-16(21)13-6-1-2-7-14(13)24(19,22)23/h1-7,9H,8,10-11H2,(H,18,20)