[1-[(3-ethoxycarbonyl-5-phenyl-thiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] 2-ethyl-3-methyl-quinoline-4-carboxylate

Systemtic Name: [1-[(3-ethoxycarbonyl-5-phenyl-thiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] 2-ethyl-3-methyl-quinoline-4-carboxylate Openeye Name: [2-[(3-ethoxycarbonyl-5-phenyl-2-thienyl)amino]-1-methyl-2-oxo-ethyl] 2-ethyl-3-methyl-quinoline-4-carboxylate CAS Name: 2-ethyl-3-methyl-4-quinolinecarboxylic acid [1-[(3-ethoxycarbonyl-5-phenyl-2-thiophenyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(3-ethoxycarbonyl-5-phenylthiophen-2-yl)amino]-1-oxopropan-2-yl] 2-ethyl-3-methylquinoline-4-carboxylate Traditional Name: 2-ethyl-3-methyl-cinchoninic acid [2-[(3-carbethoxy-5-phenyl-2-thienyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C29H28N2O5S MolecularWeight: 516.60802

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)OC(C)C(=O)NC3=C(C=C(S3)C4=CC=CC=C4)C(=O)OCC

Isomeric SMILES

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)OC(C)C(=O)NC3=C(C=C(S3)C4=CC=CC=C4)C(=O)OCC

InChI

InChI=1S/C29H28N2O5S/c1-5-22-17(3)25(20-14-10-11-15-23(20)30-22)29(34)36-18(4)26(32)31-27-21(28(33)35-6-2)16-24(37-27)19-12-8-7-9-13-19/h7-16,18H,5-6H2,1-4H3,(H,31,32)