methyl 3-[[(8-oxidanylquinolin-7-yl)-thiophen-2-yl-methyl]amino]benzoate

Systemtic Name: methyl 3-[[(8-oxidanylquinolin-7-yl)-thiophen-2-yl-methyl]amino]benzoate Openeye Name: methyl 3-[[(8-hydroxy-7-quinolyl)-(2-thienyl)methyl]amino]benzoate CAS Name: 3-[[(8-hydroxy-7-quinolinyl)-thiophen-2-ylmethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[(8-hydroxyquinolin-7-yl)-thiophen-2-ylmethyl]amino]benzoate Traditional Name: 3-[[(8-hydroxy-7-quinolyl)-(2-thienyl)methyl]amino]benzoic acid methyl ester Formula: C22H18N2O3S MolecularWeight: 390.45492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18N2O3S/c1-27-22(26)15-5-2-7-16(13-15)24-20(18-8-4-12-28-18)17-10-9-14-6-3-11-23-19(14)21(17)25/h2-13,20,24-25H,1H3