2-ethoxyethyl 4-[[(8-oxidanylquinolin-7-yl)-thiophen-2-yl-methyl]amino]benzoate

Systemtic Name: 2-ethoxyethyl 4-[[(8-oxidanylquinolin-7-yl)-thiophen-2-yl-methyl]amino]benzoate Openeye Name: 2-ethoxyethyl 4-[[(8-hydroxy-7-quinolyl)-(2-thienyl)methyl]amino]benzoate CAS Name: 4-[[(8-hydroxy-7-quinolinyl)-thiophen-2-ylmethyl]amino]benzoic acid 2-ethoxyethyl ester IUPAC Name: 2-ethoxyethyl 4-[[(8-hydroxyquinolin-7-yl)-thiophen-2-ylmethyl]amino]benzoate Traditional Name: 4-[[(8-hydroxy-7-quinolyl)-(2-thienyl)methyl]amino]benzoic acid 2-ethoxyethyl ester Formula: C25H24N2O4S MolecularWeight: 448.53406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOCCOC(=O)C1=CC=C(C=C1)NC(C2=C(C3=C(C=CC=N3)C=C2)O)C4=CC=CS4

Isomeric SMILES

CCOCCOC(=O)C1=CC=C(C=C1)NC(C2=C(C3=C(C=CC=N3)C=C2)O)C4=CC=CS4

InChI

InChI=1S/C25H24N2O4S/c1-2-30-14-15-31-25(29)18-7-10-19(11-8-18)27-23(21-6-4-16-32-21)20-12-9-17-5-3-13-26-22(17)24(20)28/h3-13,16,23,27-28H,2,14-15H2,1H3