methyl 3-[(quinoxalin-6-ylcarbonylamino)methyl]-5-(2-thiophen-3-ylethanoylamino)benzoate

Systemtic Name: methyl 3-[(quinoxalin-6-ylcarbonylamino)methyl]-5-(2-thiophen-3-ylethanoylamino)benzoate Openeye Name: methyl 3-[(quinoxaline-6-carbonylamino)methyl]-5-[[2-(3-thienyl)acetyl]amino]benzoate CAS Name: 3-[[[oxo(6-quinoxalinyl)methyl]amino]methyl]-5-[[1-oxo-2-(3-thiophenyl)ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[(quinoxaline-6-carbonylamino)methyl]-5-[(2-thiophen-3-ylacetyl)amino]benzoate Traditional Name: 3-[(quinoxaline-6-carbonylamino)methyl]-5-[[2-(3-thienyl)acetyl]amino]benzoic acid methyl ester Formula: C24H20N4O4S MolecularWeight: 460.505

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)CC2=CSC=C2)CNC(=O)C3=CC4=NC=CN=C4C=C3

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)CC2=CSC=C2)CNC(=O)C3=CC4=NC=CN=C4C=C3

InChI

InChI=1S/C24H20N4O4S/c1-32-24(31)18-8-16(9-19(11-18)28-22(29)10-15-4-7-33-14-15)13-27-23(30)17-2-3-20-21(12-17)26-6-5-25-20/h2-9,11-12,14H,10,13H2,1H3,(H,27,30)(H,28,29)