N-(6-ethanoyl-1,3-benzodioxol-5-yl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(6-ethanoyl-1,3-benzodioxol-5-yl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide Openeye Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-acetamide CAS Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[(1-oxido-2-pyridin-1-iumyl)thio]acetamide IUPAC Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide Traditional Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[(1-oxidopyridin-1-ium-2-yl)thio]acetamide Formula: C16H14N2O5S MolecularWeight: 346.35776

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1NC(=O)CSC3=CC=CC=[N+]3[O-])OCO2

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1NC(=O)CSC3=CC=CC=[N+]3[O-])OCO2

InChI

InChI=1S/C16H14N2O5S/c1-10(19)11-6-13-14(23-9-22-13)7-12(11)17-15(20)8-24-16-4-2-3-5-18(16)21/h2-7H,8-9H2,1H3,(H,17,20)