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

Systemtic Name: [2-[(3-ethoxycarbonyl-4-ethyl-5-methyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl] 2-ethyl-3-methyl-quinoline-4-carboxylate Openeye Name: [2-[(3-ethoxycarbonyl-4-ethyl-5-methyl-2-thienyl)amino]-2-oxo-ethyl] 2-ethyl-3-methyl-quinoline-4-carboxylate CAS Name: 2-ethyl-3-methyl-4-quinolinecarboxylic acid [2-[(3-ethoxycarbonyl-4-ethyl-5-methyl-2-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-ethoxycarbonyl-4-ethyl-5-methylthiophen-2-yl)amino]-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate Traditional Name: 2-ethyl-3-methyl-cinchoninic acid [2-[(3-carbethoxy-4-ethyl-5-methyl-2-thienyl)amino]-2-keto-ethyl] ester Formula: C25H28N2O5S MolecularWeight: 468.56522

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OCC)NC(=O)COC(=O)C2=C(C(=NC3=CC=CC=C32)CC)C)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OCC)NC(=O)COC(=O)C2=C(C(=NC3=CC=CC=C32)CC)C)C

InChI

InChI=1S/C25H28N2O5S/c1-6-16-15(5)33-23(22(16)25(30)31-8-3)27-20(28)13-32-24(29)21-14(4)18(7-2)26-19-12-10-9-11-17(19)21/h9-12H,6-8,13H2,1-5H3,(H,27,28)