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

Systemtic Name: [2-[[5-(1,3-benzodioxol-5-ylmethyl)-3-ethoxycarbonyl-4-methyl-thiophen-2-yl]amino]-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: [2-[[5-(1,3-benzodioxol-5-ylmethyl)-3-ethoxycarbonyl-4-methyl-2-thienyl]amino]-2-oxo-ethyl] 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-pyridin-1-iumcarboxylic acid [2-[[5-(1,3-benzodioxol-5-ylmethyl)-3-ethoxycarbonyl-4-methyl-2-thiophenyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[5-(1,3-benzodioxol-5-ylmethyl)-3-ethoxycarbonyl-4-methylthiophen-2-yl]amino]-2-oxoethyl] 1-oxidopyridin-1-ium-4-carboxylate Traditional Name: 1-oxidopyridin-1-ium-4-carboxylic acid [2-[(3-carbethoxy-4-methyl-5-piperonyl-2-thienyl)amino]-2-keto-ethyl] ester Formula: C24H22N2O8S MolecularWeight: 498.50508

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)CC2=CC3=C(C=C2)OCO3)NC(=O)COC(=O)C4=CC=[N+](C=C4)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)CC2=CC3=C(C=C2)OCO3)NC(=O)COC(=O)C4=CC=[N+](C=C4)[O-]

InChI

InChI=1S/C24H22N2O8S/c1-3-31-24(29)21-14(2)19(11-15-4-5-17-18(10-15)34-13-33-17)35-22(21)25-20(27)12-32-23(28)16-6-8-26(30)9-7-16/h4-10H,3,11-13H2,1-2H3,(H,25,27)