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

Systemtic Name: diethyl 3-methyl-5-[2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoylamino]thiophene-2,4-dicarboxylate Openeye Name: diethyl 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 diethyl ester IUPAC Name: diethyl 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 diethyl ester Formula: C18H20N2O6S2 MolecularWeight: 424.4912

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O6S2/c1-4-25-17(22)14-11(3)15(18(23)26-5-2)28-16(14)19-12(21)10-27-13-8-6-7-9-20(13)24/h6-9H,4-5,10H2,1-3H3,(H,19,21)