methyl 3-[(quinolin-2-ylcarbonylamino)methyl]-5-(2-thiophen-3-ylethanoylamino)benzoate

Systemtic Name: methyl 3-[(quinolin-2-ylcarbonylamino)methyl]-5-(2-thiophen-3-ylethanoylamino)benzoate Openeye Name: methyl 3-[(quinoline-2-carbonylamino)methyl]-5-[[2-(3-thienyl)acetyl]amino]benzoate CAS Name: 3-[[[oxo(2-quinolinyl)methyl]amino]methyl]-5-[[1-oxo-2-(3-thiophenyl)ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[(quinoline-2-carbonylamino)methyl]-5-[(2-thiophen-3-ylacetyl)amino]benzoate Traditional Name: 3-[(quinaldoylamino)methyl]-5-[[2-(3-thienyl)acetyl]amino]benzoic acid methyl ester Formula: C25H21N3O4S MolecularWeight: 459.51694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)CC2=CSC=C2)CNC(=O)C3=NC4=CC=CC=C4C=C3

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)CC2=CSC=C2)CNC(=O)C3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C25H21N3O4S/c1-32-25(31)19-10-17(11-20(13-19)27-23(29)12-16-8-9-33-15-16)14-26-24(30)22-7-6-18-4-2-3-5-21(18)28-22/h2-11,13,15H,12,14H2,1H3,(H,26,30)(H,27,29)