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

Systemtic Name: [2-[[5-aminocarbonyl-3-(2-methoxyethoxycarbonyl)-4-methyl-thiophen-2-yl]amino]-2-oxidanylidene-ethyl] quinoline-2-carboxylate Openeye Name: [2-[[5-carbamoyl-3-(2-methoxyethoxycarbonyl)-4-methyl-2-thienyl]amino]-2-oxo-ethyl] quinoline-2-carboxylate CAS Name: 2-quinolinecarboxylic acid [2-[[5-carbamoyl-3-[2-methoxyethoxy(oxo)methyl]-4-methyl-2-thiophenyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[5-carbamoyl-3-(2-methoxyethoxycarbonyl)-4-methylthiophen-2-yl]amino]-2-oxoethyl] quinoline-2-carboxylate Traditional Name: quinaldic acid [2-[[5-carbamoyl-3-(2-methoxyethoxycarbonyl)-4-methyl-2-thienyl]amino]-2-keto-ethyl] ester Formula: C22H21N3O7S MolecularWeight: 471.48304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OCCOC)NC(=O)COC(=O)C2=NC3=CC=CC=C3C=C2)C(=O)N

Isomeric SMILES

CC1=C(SC(=C1C(=O)OCCOC)NC(=O)COC(=O)C2=NC3=CC=CC=C3C=C2)C(=O)N

InChI

InChI=1S/C22H21N3O7S/c1-12-17(22(29)31-10-9-30-2)20(33-18(12)19(23)27)25-16(26)11-32-21(28)15-8-7-13-5-3-4-6-14(13)24-15/h3-8H,9-11H2,1-2H3,(H2,23,27)(H,25,26)