methyl 3-[(imidazo[1,2-a]pyridin-2-ylcarbonylamino)methyl]-5-(2-thiophen-3-ylethanoylamino)benzoate

Systemtic Name: methyl 3-[(imidazo[1,2-a]pyridin-2-ylcarbonylamino)methyl]-5-(2-thiophen-3-ylethanoylamino)benzoate Openeye Name: methyl 3-[(imidazo[1,2-a]pyridine-2-carbonylamino)methyl]-5-[[2-(3-thienyl)acetyl]amino]benzoate CAS Name: 3-[[[2-imidazo[1,2-a]pyridinyl(oxo)methyl]amino]methyl]-5-[[1-oxo-2-(3-thiophenyl)ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[(imidazo[1,2-a]pyridine-2-carbonylamino)methyl]-5-[(2-thiophen-3-ylacetyl)amino]benzoate Traditional Name: 3-[(imidazo[1,2-a]pyridine-2-carbonylamino)methyl]-5-[[2-(3-thienyl)acetyl]amino]benzoic acid methyl ester Formula: C23H20N4O4S MolecularWeight: 448.4943

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)CC2=CSC=C2)CNC(=O)C3=CN4C=CC=CC4=N3

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)CC2=CSC=C2)CNC(=O)C3=CN4C=CC=CC4=N3

InChI

InChI=1S/C23H20N4O4S/c1-31-23(30)17-8-16(9-18(11-17)25-21(28)10-15-5-7-32-14-15)12-24-22(29)19-13-27-6-3-2-4-20(27)26-19/h2-9,11,13-14H,10,12H2,1H3,(H,24,29)(H,25,28)