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

Systemtic Name: diethyl 5-azanyl-3-[(1-oxidanidylpyridin-1-ium-2-yl)sulfanylmethyl]thiophene-2,4-dicarboxylate Openeye Name: diethyl 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 diethyl ester IUPAC Name: diethyl 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 diethyl ester Formula: C16H18N2O5S2 MolecularWeight: 382.45452

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1CSC2=CC=CC=[N+]2[O-])C(=O)OCC)N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1CSC2=CC=CC=[N+]2[O-])C(=O)OCC)N

InChI

InChI=1S/C16H18N2O5S2/c1-3-22-15(19)12-10(9-24-11-7-5-6-8-18(11)21)13(25-14(12)17)16(20)23-4-2/h5-8H,3-4,9,17H2,1-2H3