N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide Openeye Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-acetamide CAS Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[(1-oxido-2-pyridin-1-iumyl)thio]acetamide IUPAC Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide Traditional Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[(1-oxidopyridin-1-ium-2-yl)thio]acetamide Formula: C15H13N3O3S2 MolecularWeight: 347.41202

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=CC=CC=[N+]3[O-]

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C15H13N3O3S2/c1-21-10-5-6-11-12(8-10)23-15(16-11)17-13(19)9-22-14-4-2-3-7-18(14)20/h2-8H,9H2,1H3,(H,16,17,19)