[2-[[5-(dimethylcarbamoyl)-3-ethoxycarbonyl-4-methyl-thiophen-2-yl]amino]-2-oxidanylidene-ethyl] quinoline-2-carboxylate

Systemtic Name: [2-[[5-(dimethylcarbamoyl)-3-ethoxycarbonyl-4-methyl-thiophen-2-yl]amino]-2-oxidanylidene-ethyl] quinoline-2-carboxylate Openeye Name: [2-[[5-(dimethylcarbamoyl)-3-ethoxycarbonyl-4-methyl-2-thienyl]amino]-2-oxo-ethyl] quinoline-2-carboxylate CAS Name: 2-quinolinecarboxylic acid [2-[[5-[dimethylamino(oxo)methyl]-3-ethoxycarbonyl-4-methyl-2-thiophenyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[5-(dimethylcarbamoyl)-3-ethoxycarbonyl-4-methylthiophen-2-yl]amino]-2-oxoethyl] quinoline-2-carboxylate Traditional Name: quinaldic acid [2-[[3-carbethoxy-5-(dimethylcarbamoyl)-4-methyl-2-thienyl]amino]-2-keto-ethyl] ester Formula: C23H23N3O6S MolecularWeight: 469.51022

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)N(C)C)NC(=O)COC(=O)C2=NC3=CC=CC=C3C=C2

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)N(C)C)NC(=O)COC(=O)C2=NC3=CC=CC=C3C=C2

InChI

InChI=1S/C23H23N3O6S/c1-5-31-23(30)18-13(2)19(21(28)26(3)4)33-20(18)25-17(27)12-32-22(29)16-11-10-14-8-6-7-9-15(14)24-16/h6-11H,5,12H2,1-4H3,(H,25,27)