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

Systemtic Name: N-pyridin-4-yl-3-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]propanamide Openeye Name: N-(4-pyridyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide CAS Name: N-pyridin-4-yl-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide IUPAC Name: N-pyridin-4-yl-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide Traditional Name: N-(4-pyridyl)-3-(1,1,3-triketo-1,2-benzothiazol-2-yl)propionamide 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)CCC(=O)NC3=CC=NC=C3

Isomeric SMILES

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

InChI

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