butyl 2-[(2-thiophen-2-ylquinolin-4-yl)carbonylamino]-1-benzothiophene-3-carboxylate

Systemtic Name: butyl 2-[(2-thiophen-2-ylquinolin-4-yl)carbonylamino]-1-benzothiophene-3-carboxylate Openeye Name: butyl 2-[[2-(2-thienyl)quinoline-4-carbonyl]amino]benzothiophene-3-carboxylate CAS Name: 2-[[oxo-(2-thiophen-2-yl-4-quinolinyl)methyl]amino]-1-benzothiophene-3-carboxylic acid butyl ester IUPAC Name: butyl 2-[(2-thiophen-2-ylquinoline-4-carbonyl)amino]-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(2-thienyl)quinoline-4-carbonyl]amino]benzothiophene-3-carboxylic acid butyl ester Formula: C27H22N2O3S2 MolecularWeight: 486.60518

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=C(SC2=CC=CC=C21)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CS5

Isomeric SMILES

CCCCOC(=O)C1=C(SC2=CC=CC=C21)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CS5

InChI

InChI=1S/C27H22N2O3S2/c1-2-3-14-32-27(31)24-18-10-5-7-12-22(18)34-26(24)29-25(30)19-16-21(23-13-8-15-33-23)28-20-11-6-4-9-17(19)20/h4-13,15-16H,2-3,14H2,1H3,(H,29,30)