ethyl 3-[(1-oxidanidylpyridin-1-ium-2-yl)sulfanylmethyl]-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 3-[(1-oxidanidylpyridin-1-ium-2-yl)sulfanylmethyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 3-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]benzofuran-2-carboxylate CAS Name: 3-[[(1-oxido-2-pyridin-1-iumyl)thio]methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]-1-benzofuran-2-carboxylate Traditional Name: 3-[[(1-oxidopyridin-1-ium-2-yl)thio]methyl]coumarilic acid ethyl ester Formula: C17H15NO4S MolecularWeight: 329.3703

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2O1)CSC3=CC=CC=[N+]3[O-]

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2O1)CSC3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C17H15NO4S/c1-2-21-17(19)16-13(12-7-3-4-8-14(12)22-16)11-23-15-9-5-6-10-18(15)20/h3-10H,2,11H2,1H3