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

Systemtic Name: dimethyl 3-methyl-5-[2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoylamino]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 3-methyl-5-[[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]amino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[2-[(1-oxido-2-pyridin-1-iumyl)thio]-1-oxoethyl]amino]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3-methyl-5-[[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]amino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[[2-[(1-oxidopyridin-1-ium-2-yl)thio]acetyl]amino]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C16H16N2O6S2 MolecularWeight: 396.43804

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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(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O6S2/c1-9-12(15(20)23-2)14(26-13(9)16(21)24-3)17-10(19)8-25-11-6-4-5-7-18(11)22/h4-7H,8H2,1-3H3,(H,17,19)