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

Systemtic Name: dimethyl 5-azanyl-3-[(1-oxidanidylpyridin-1-ium-2-yl)sulfanylmethyl]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-amino-3-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[(1-oxido-2-pyridin-1-iumyl)thio]methyl]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-amino-3-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[[(1-oxidopyridin-1-ium-2-yl)thio]methyl]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C14H14N2O5S2 MolecularWeight: 354.40136

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1CSC2=CC=CC=[N+]2[O-])C(=O)OC)N

Isomeric SMILES

COC(=O)C1=C(SC(=C1CSC2=CC=CC=[N+]2[O-])C(=O)OC)N

InChI

InChI=1S/C14H14N2O5S2/c1-20-13(17)10-8(11(14(18)21-2)23-12(10)15)7-22-9-5-3-4-6-16(9)19/h3-6H,7,15H2,1-2H3