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

Systemtic Name: N-(pyridin-3-ylmethyl)-3-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]propanamide Openeye Name: N-(3-pyridylmethyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide CAS Name: N-(3-pyridinylmethyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide IUPAC Name: N-(pyridin-3-ylmethyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide Traditional Name: N-(3-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=CN=CC=C3

Isomeric SMILES

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

InChI

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