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

Systemtic Name: methyl 3-[(quinolin-6-ylcarbonylamino)methyl]-5-(2-thiophen-3-ylethanoylamino)benzoate Openeye Name: methyl 3-[(quinoline-6-carbonylamino)methyl]-5-[[2-(3-thienyl)acetyl]amino]benzoate CAS Name: 3-[[[oxo(6-quinolinyl)methyl]amino]methyl]-5-[[1-oxo-2-(3-thiophenyl)ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[(quinoline-6-carbonylamino)methyl]-5-[(2-thiophen-3-ylacetyl)amino]benzoate Traditional Name: 3-[(quinoline-6-carbonylamino)methyl]-5-[[2-(3-thienyl)acetyl]amino]benzoic acid methyl ester Formula: C25H21N3O4S MolecularWeight: 459.51694

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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=C(C=C3)N=CC=C4

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)CC2=CSC=C2)CNC(=O)C3=CC4=C(C=C3)N=CC=C4

InChI

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