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

Systemtic Name: [2-[[5-(diethylcarbamoyl)-3-ethoxycarbonyl-4-methyl-thiophen-2-yl]amino]-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: [2-[[5-(diethylcarbamoyl)-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-[diethylamino(oxo)methyl]-3-ethoxycarbonyl-4-methyl-2-thiophenyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[5-(diethylcarbamoyl)-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-5-(diethylcarbamoyl)-4-methyl-2-thienyl]amino]-2-keto-ethyl] ester Formula: C21H25N3O7S MolecularWeight: 463.5041

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=O)COC(=O)C2=CC=[N+](C=C2)[O-])C(=O)OCC)C

Isomeric SMILES

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=O)COC(=O)C2=CC=[N+](C=C2)[O-])C(=O)OCC)C

InChI

InChI=1S/C21H25N3O7S/c1-5-23(6-2)19(26)17-13(4)16(21(28)30-7-3)18(32-17)22-15(25)12-31-20(27)14-8-10-24(29)11-9-14/h8-11H,5-7,12H2,1-4H3,(H,22,25)