(2-oxidanylidene-2-thiophen-2-yl-ethyl) 2-phenylquinoline-4-carboxylate

Systemtic Name: (2-oxidanylidene-2-thiophen-2-yl-ethyl) 2-phenylquinoline-4-carboxylate Openeye Name: [2-oxo-2-(2-thienyl)ethyl] 2-phenylquinoline-4-carboxylate CAS Name: 2-phenyl-4-quinolinecarboxylic acid (2-oxo-2-thiophen-2-ylethyl) ester IUPAC Name: (2-oxo-2-thiophen-2-ylethyl) 2-phenylquinoline-4-carboxylate Traditional Name: 2-phenylcinchoninic acid [2-keto-2-(2-thienyl)ethyl] ester Formula: C22H15NO3S MolecularWeight: 373.4244

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC(=O)C4=CC=CS4

Isomeric SMILES

C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC(=O)C4=CC=CS4

InChI

InChI=1S/C22H15NO3S/c24-20(21-11-6-12-27-21)14-26-22(25)17-13-19(15-7-2-1-3-8-15)23-18-10-5-4-9-16(17)18/h1-13H,14H2