[2-[(3-ethoxycarbonyl-5-ethyl-4-methyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-2-carboxylate

Systemtic Name: [2-[(3-ethoxycarbonyl-5-ethyl-4-methyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-2-carboxylate Openeye Name: [2-[(3-ethoxycarbonyl-5-ethyl-4-methyl-2-thienyl)amino]-2-oxo-ethyl] 1-oxidopyridin-1-ium-2-carboxylate CAS Name: 1-oxido-2-pyridin-1-iumcarboxylic acid [2-[(3-ethoxycarbonyl-5-ethyl-4-methyl-2-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-ethoxycarbonyl-5-ethyl-4-methylthiophen-2-yl)amino]-2-oxoethyl] 1-oxidopyridin-1-ium-2-carboxylate Traditional Name: 1-oxidopyridin-1-ium-2-carboxylic acid [2-[(3-carbethoxy-5-ethyl-4-methyl-2-thienyl)amino]-2-keto-ethyl] ester Formula: C18H20N2O6S MolecularWeight: 392.4262

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(S1)NC(=O)COC(=O)C2=CC=CC=[N+]2[O-])C(=O)OCC)C

Isomeric SMILES

CCC1=C(C(=C(S1)NC(=O)COC(=O)C2=CC=CC=[N+]2[O-])C(=O)OCC)C

InChI

InChI=1S/C18H20N2O6S/c1-4-13-11(3)15(18(23)25-5-2)16(27-13)19-14(21)10-26-17(22)12-8-6-7-9-20(12)24/h6-9H,4-5,10H2,1-3H3,(H,19,21)