[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl] 2-(5-chloranylthiophen-2-yl)quinoline-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl] 2-(5-chloranylthiophen-2-yl)quinoline-4-carboxylate Openeye Name: [2-oxo-2-(2-thienylmethylamino)ethyl] 2-(5-chloro-2-thienyl)quinoline-4-carboxylate CAS Name: 2-(5-chloro-2-thiophenyl)-4-quinolinecarboxylic acid [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-(5-chlorothiophen-2-yl)quinoline-4-carboxylate Traditional Name: 2-(5-chloro-2-thienyl)cinchoninic acid [2-keto-2-(2-thenylamino)ethyl] ester Formula: C21H15ClN2O3S2 MolecularWeight: 442.9384

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=C(S3)Cl)C(=O)OCC(=O)NCC4=CC=CS4

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=C(S3)Cl)C(=O)OCC(=O)NCC4=CC=CS4

InChI

InChI=1S/C21H15ClN2O3S2/c22-19-8-7-18(29-19)17-10-15(14-5-1-2-6-16(14)24-17)21(26)27-12-20(25)23-11-13-4-3-9-28-13/h1-10H,11-12H2,(H,23,25)