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

Systemtic Name: [2-[(3-ethoxycarbonyl-5-ethyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-2-carboxylate Openeye Name: [2-[(3-ethoxycarbonyl-5-ethyl-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-2-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-ethoxycarbonyl-5-ethylthiophen-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-2-thienyl)amino]-2-keto-ethyl] ester Formula: C17H18N2O6S MolecularWeight: 378.39962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O6S/c1-3-11-9-12(16(21)24-4-2)15(26-11)18-14(20)10-25-17(22)13-7-5-6-8-19(13)23/h5-9H,3-4,10H2,1-2H3,(H,18,20)