3-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethanoylamino]benzoic acid

Systemtic Name: 3-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethanoylamino]benzoic acid Openeye Name: 3-[[2-[2-(4-pyridyl)thiazol-4-yl]acetyl]amino]benzoic acid CAS Name: 3-[[1-oxo-2-(2-pyridin-4-yl-4-thiazolyl)ethyl]amino]benzoic acid IUPAC Name: 3-[[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)acetyl]amino]benzoic acid Traditional Name: 3-[[2-[2-(4-pyridyl)thiazol-4-yl]acetyl]amino]benzoic acid Formula: C17H13N3O3S MolecularWeight: 339.36842

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)CC2=CSC(=N2)C3=CC=NC=C3)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)CC2=CSC(=N2)C3=CC=NC=C3)C(=O)O

InChI

InChI=1S/C17H13N3O3S/c21-15(19-13-3-1-2-12(8-13)17(22)23)9-14-10-24-16(20-14)11-4-6-18-7-5-11/h1-8,10H,9H2,(H,19,21)(H,22,23)