N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-acetamide CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(1-oxido-2-pyridin-1-iumyl)thio]acetamide IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide Traditional Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(1-oxidopyridin-1-ium-2-yl)thio]acetamide Formula: C16H16N2O4S MolecularWeight: 332.37424

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)CSC3=CC=CC=[N+]3[O-])OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)CSC3=CC=CC=[N+]3[O-])OC1

InChI

InChI=1S/C16H16N2O4S/c19-15(11-23-16-4-1-2-7-18(16)20)17-12-5-6-13-14(10-12)22-9-3-8-21-13/h1-2,4-7,10H,3,8-9,11H2,(H,17,19)