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

Systemtic Name: [2-[[4-(2-chlorophenyl)-3-ethoxycarbonyl-thiophen-2-yl]amino]-2-oxidanylidene-ethyl] 2-ethyl-3-methyl-quinoline-4-carboxylate Openeye Name: [2-[[4-(2-chlorophenyl)-3-ethoxycarbonyl-2-thienyl]amino]-2-oxo-ethyl] 2-ethyl-3-methyl-quinoline-4-carboxylate CAS Name: 2-ethyl-3-methyl-4-quinolinecarboxylic acid [2-[[4-(2-chlorophenyl)-3-ethoxycarbonyl-2-thiophenyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[4-(2-chlorophenyl)-3-ethoxycarbonylthiophen-2-yl]amino]-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate Traditional Name: 2-ethyl-3-methyl-cinchoninic acid [2-[[3-carbethoxy-4-(2-chlorophenyl)-2-thienyl]amino]-2-keto-ethyl] ester Formula: C28H25ClN2O5S MolecularWeight: 537.0265

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)OCC(=O)NC3=C(C(=CS3)C4=CC=CC=C4Cl)C(=O)OCC

Isomeric SMILES

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)OCC(=O)NC3=C(C(=CS3)C4=CC=CC=C4Cl)C(=O)OCC

InChI

InChI=1S/C28H25ClN2O5S/c1-4-21-16(3)24(18-11-7-9-13-22(18)30-21)27(33)36-14-23(32)31-26-25(28(34)35-5-2)19(15-37-26)17-10-6-8-12-20(17)29/h6-13,15H,4-5,14H2,1-3H3,(H,31,32)