(2-azanyl-2-oxidanylidene-1-phenyl-ethyl) 2-thiophen-2-ylquinoline-4-carboxylate

Systemtic Name: (2-azanyl-2-oxidanylidene-1-phenyl-ethyl) 2-thiophen-2-ylquinoline-4-carboxylate Openeye Name: (2-amino-2-oxo-1-phenyl-ethyl) 2-(2-thienyl)quinoline-4-carboxylate CAS Name: 2-thiophen-2-yl-4-quinolinecarboxylic acid (2-amino-2-oxo-1-phenylethyl) ester IUPAC Name: (2-amino-2-oxo-1-phenylethyl) 2-thiophen-2-ylquinoline-4-carboxylate Traditional Name: 2-(2-thienyl)cinchoninic acid (2-amino-2-keto-1-phenyl-ethyl) ester Formula: C22H16N2O3S MolecularWeight: 388.43904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)N)OC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CS4

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)N)OC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CS4

InChI

InChI=1S/C22H16N2O3S/c23-21(25)20(14-7-2-1-3-8-14)27-22(26)16-13-18(19-11-6-12-28-19)24-17-10-5-4-9-15(16)17/h1-13,20H,(H2,23,25)