(2-oxidanylidene-2-thiophen-2-yl-ethyl) 2-[(2-phenylquinolin-4-yl)carbonylamino]benzoate

Systemtic Name: (2-oxidanylidene-2-thiophen-2-yl-ethyl) 2-[(2-phenylquinolin-4-yl)carbonylamino]benzoate Openeye Name: [2-oxo-2-(2-thienyl)ethyl] 2-[(2-phenylquinoline-4-carbonyl)amino]benzoate CAS Name: 2-[[oxo-(2-phenyl-4-quinolinyl)methyl]amino]benzoic acid (2-oxo-2-thiophen-2-ylethyl) ester IUPAC Name: (2-oxo-2-thiophen-2-ylethyl) 2-[(2-phenylquinoline-4-carbonyl)amino]benzoate Traditional Name: 2-[(2-phenylquinoline-4-carbonyl)amino]benzoic acid [2-keto-2-(2-thienyl)ethyl] ester Formula: C29H20N2O4S MolecularWeight: 492.5451

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC=CC=C4C(=O)OCC(=O)C5=CC=CS5

Isomeric SMILES

C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC=CC=C4C(=O)OCC(=O)C5=CC=CS5

InChI

InChI=1S/C29H20N2O4S/c32-26(27-15-8-16-36-27)18-35-29(34)21-12-5-7-14-24(21)31-28(33)22-17-25(19-9-2-1-3-10-19)30-23-13-6-4-11-20(22)23/h1-17H,18H2,(H,31,33)