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

Systemtic Name: ethyl 3,5-dimethyl-4-[2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoyl]-1H-pyrrole-2-carboxylate Openeye Name: ethyl 3,5-dimethyl-4-[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]-1H-pyrrole-2-carboxylate CAS Name: 3,5-dimethyl-4-[2-[(1-oxido-2-pyridin-1-iumyl)thio]-1-oxoethyl]-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3,5-dimethyl-4-[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]-1H-pyrrole-2-carboxylate Traditional Name: 3,5-dimethyl-4-[2-[(1-oxidopyridin-1-ium-2-yl)thio]acetyl]-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C16H18N2O4S MolecularWeight: 334.39012

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)C(=O)CSC2=CC=CC=[N+]2[O-])C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)C(=O)CSC2=CC=CC=[N+]2[O-])C

InChI

InChI=1S/C16H18N2O4S/c1-4-22-16(20)15-10(2)14(11(3)17-15)12(19)9-23-13-7-5-6-8-18(13)21/h5-8,17H,4,9H2,1-3H3