N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide Openeye Name: N-[(1R)-1-(benzofuran-2-yl)ethyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-acetamide CAS Name: N-[(1R)-1-(2-benzofuranyl)ethyl]-2-[(1-oxido-2-pyridin-1-iumyl)thio]acetamide IUPAC Name: N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide Traditional Name: N-[(1R)-1-(benzofuran-2-yl)ethyl]-2-[(1-oxidopyridin-1-ium-2-yl)thio]acetamide Formula: C17H16N2O3S MolecularWeight: 328.38554

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=CC=CC=C2O1)NC(=O)CSC3=CC=CC=[N+]3[O-]

Isomeric SMILES

C[C@H](C1=CC2=CC=CC=C2O1)NC(=O)CSC3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C17H16N2O3S/c1-12(15-10-13-6-2-3-7-14(13)22-15)18-16(20)11-23-17-8-4-5-9-19(17)21/h2-10,12H,11H2,1H3,(H,18,20)/t12-/m1/s1