N-[[5-[2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoyl]thiophen-2-yl]methyl]ethanamide

Systemtic Name: N-[[5-[2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoyl]thiophen-2-yl]methyl]ethanamide Openeye Name: N-[[5-[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]-2-thienyl]methyl]acetamide CAS Name: N-[[5-[2-[(1-oxido-2-pyridin-1-iumyl)thio]-1-oxoethyl]-2-thiophenyl]methyl]acetamide IUPAC Name: N-[[5-[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]thiophen-2-yl]methyl]acetamide Traditional Name: N-[[5-[2-[(1-oxidopyridin-1-ium-2-yl)thio]acetyl]-2-thienyl]methyl]acetamide Formula: C14H14N2O3S2 MolecularWeight: 322.40256

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC1=CC=C(S1)C(=O)CSC2=CC=CC=[N+]2[O-]

Isomeric SMILES

CC(=O)NCC1=CC=C(S1)C(=O)CSC2=CC=CC=[N+]2[O-]

InChI

InChI=1S/C14H14N2O3S2/c1-10(17)15-8-11-5-6-13(21-11)12(18)9-20-14-4-2-3-7-16(14)19/h2-7H,8-9H2,1H3,(H,15,17)