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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28N2O5S/c1-6-18-15(5)22(16-10-8-9-11-19(16)26-18)25(30)32-13-21(28)27-23-17(24(29)31-7-2)12-20(33-23)14(3)4/h8-12,14H,6-7,13H2,1-5H3,(H,27,28)