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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C(C)C)NC(=O)COC(=O)C2=CC=[N+](C=C2)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C(C)C)NC(=O)COC(=O)C2=CC=[N+](C=C2)[O-]

InChI

InChI=1S/C18H20N2O6S/c1-4-25-18(23)13-9-14(11(2)3)27-16(13)19-15(21)10-26-17(22)12-5-7-20(24)8-6-12/h5-9,11H,4,10H2,1-3H3,(H,19,21)