ethyl 2,5-dimethyl-4-[2-[2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoyloxy]ethanoyl]-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 2,5-dimethyl-4-[2-[2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoyloxy]ethanoyl]-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2,5-dimethyl-4-[2-[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]oxyacetyl]-1H-pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-4-[2-[2-[(1-oxido-2-pyridin-1-iumyl)thio]-1-oxoethoxy]-1-oxoethyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,5-dimethyl-4-[2-[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]oxyacetyl]-1H-pyrrole-3-carboxylate Traditional Name: 2,5-dimethyl-4-[2-[2-[(1-oxidopyridin-1-ium-2-yl)thio]acetyl]oxyacetyl]-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C18H20N2O6S MolecularWeight: 392.4262

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C(=O)COC(=O)CSC2=CC=CC=[N+]2[O-])C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C(=O)COC(=O)CSC2=CC=CC=[N+]2[O-])C)C

InChI

InChI=1S/C18H20N2O6S/c1-4-25-18(23)17-12(3)19-11(2)16(17)13(21)9-26-15(22)10-27-14-7-5-6-8-20(14)24/h5-8,19H,4,9-10H2,1-3H3