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

Systemtic Name: [2-[[5-(diethylcarbamoyl)-3-ethoxycarbonyl-4-methyl-thiophen-2-yl]amino]-2-oxidanylidene-ethyl] quinoline-2-carboxylate Openeye Name: [2-[[5-(diethylcarbamoyl)-3-ethoxycarbonyl-4-methyl-2-thienyl]amino]-2-oxo-ethyl] quinoline-2-carboxylate CAS Name: 2-quinolinecarboxylic 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] quinoline-2-carboxylate Traditional Name: quinaldic acid [2-[[3-carbethoxy-5-(diethylcarbamoyl)-4-methyl-2-thienyl]amino]-2-keto-ethyl] ester Formula: C25H27N3O6S MolecularWeight: 497.56338

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=O)COC(=O)C2=NC3=CC=CC=C3C=C2)C(=O)OCC)C

Isomeric SMILES

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=O)COC(=O)C2=NC3=CC=CC=C3C=C2)C(=O)OCC)C

InChI

InChI=1S/C25H27N3O6S/c1-5-28(6-2)23(30)21-15(4)20(25(32)33-7-3)22(35-21)27-19(29)14-34-24(31)18-13-12-16-10-8-9-11-17(16)26-18/h8-13H,5-7,14H2,1-4H3,(H,27,29)