4-[[[2-(thiophen-3-ylmethylcarbamoyl)pyridin-4-yl]carbonylamino]methyl]benzoic acid

Systemtic Name: 4-[[[2-(thiophen-3-ylmethylcarbamoyl)pyridin-4-yl]carbonylamino]methyl]benzoic acid Openeye Name: 4-[[[2-(3-thienylmethylcarbamoyl)pyridine-4-carbonyl]amino]methyl]benzoic acid CAS Name: 4-[[[oxo-[2-[oxo-(3-thiophenylmethylamino)methyl]-4-pyridinyl]methyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[2-(thiophen-3-ylmethylcarbamoyl)pyridine-4-carbonyl]amino]methyl]benzoic acid Traditional Name: 4-[[[2-(3-thenylcarbamoyl)isonicotinoyl]amino]methyl]benzoic acid Formula: C20H17N3O4S MolecularWeight: 395.43168

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=O)C2=CC(=NC=C2)C(=O)NCC3=CSC=C3)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CNC(=O)C2=CC(=NC=C2)C(=O)NCC3=CSC=C3)C(=O)O

InChI

InChI=1S/C20H17N3O4S/c24-18(22-10-13-1-3-15(4-2-13)20(26)27)16-5-7-21-17(9-16)19(25)23-11-14-6-8-28-12-14/h1-9,12H,10-11H2,(H,22,24)(H,23,25)(H,26,27)