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

Systemtic Name: ethyl 1-ethyl-2,5-dimethyl-4-[2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoyl]pyrrole-3-carboxylate Openeye Name: ethyl 1-ethyl-2,5-dimethyl-4-[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]pyrrole-3-carboxylate CAS Name: 1-ethyl-2,5-dimethyl-4-[2-[(1-oxido-2-pyridin-1-iumyl)thio]-1-oxoethyl]-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-ethyl-2,5-dimethyl-4-[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]pyrrole-3-carboxylate Traditional Name: 1-ethyl-2,5-dimethyl-4-[2-[(1-oxidopyridin-1-ium-2-yl)thio]acetyl]pyrrole-3-carboxylic acid ethyl ester Formula: C18H22N2O4S MolecularWeight: 362.44328

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=C1C)C(=O)OCC)C(=O)CSC2=CC=CC=[N+]2[O-])C

Isomeric SMILES

CCN1C(=C(C(=C1C)C(=O)OCC)C(=O)CSC2=CC=CC=[N+]2[O-])C

InChI

InChI=1S/C18H22N2O4S/c1-5-19-12(3)16(17(13(19)4)18(22)24-6-2)14(21)11-25-15-9-7-8-10-20(15)23/h7-10H,5-6,11H2,1-4H3