methyl 4,5-dimethyl-2-[2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoylamino]thiophene-3-carboxylate

Systemtic Name: methyl 4,5-dimethyl-2-[2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoylamino]thiophene-3-carboxylate Openeye Name: methyl 4,5-dimethyl-2-[[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]amino]thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[2-[(1-oxido-2-pyridin-1-iumyl)thio]-1-oxoethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4,5-dimethyl-2-[[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]amino]thiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-[[2-[(1-oxidopyridin-1-ium-2-yl)thio]acetyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C15H16N2O4S2 MolecularWeight: 352.42854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)CSC2=CC=CC=[N+]2[O-])C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)CSC2=CC=CC=[N+]2[O-])C

InChI

InChI=1S/C15H16N2O4S2/c1-9-10(2)23-14(13(9)15(19)21-3)16-11(18)8-22-12-6-4-5-7-17(12)20/h4-7H,8H2,1-3H3,(H,16,18)