butyl 4-[[2-(5-chloranylthiophen-2-yl)quinolin-4-yl]carbonylamino]benzoate

Systemtic Name: butyl 4-[[2-(5-chloranylthiophen-2-yl)quinolin-4-yl]carbonylamino]benzoate Openeye Name: butyl 4-[[2-(5-chloro-2-thienyl)quinoline-4-carbonyl]amino]benzoate CAS Name: 4-[[[2-(5-chloro-2-thiophenyl)-4-quinolinyl]-oxomethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-(5-chlorothiophen-2-yl)quinoline-4-carbonyl]amino]benzoate Traditional Name: 4-[[2-(5-chloro-2-thienyl)quinoline-4-carbonyl]amino]benzoic acid butyl ester Formula: C25H21ClN2O3S MolecularWeight: 464.96384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(S4)Cl

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(S4)Cl

InChI

InChI=1S/C25H21ClN2O3S/c1-2-3-14-31-25(30)16-8-10-17(11-9-16)27-24(29)19-15-21(22-12-13-23(26)32-22)28-20-7-5-4-6-18(19)20/h4-13,15H,2-3,14H2,1H3,(H,27,29)