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

Systemtic Name: 4-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethanoylamino]benzoate Openeye Name: 4-[[2-[2-(4-pyridyl)thiazol-4-yl]acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-(2-pyridin-4-yl-4-thiazolyl)ethyl]amino]benzoate IUPAC Name: 4-[[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)acetyl]amino]benzoate Traditional Name: 4-[[2-[2-(4-pyridyl)thiazol-4-yl]acetyl]amino]benzoate Formula: C17H12N3O3S- MolecularWeight: 338.36048

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)[O-])NC(=O)CC2=CSC(=N2)C3=CC=NC=C3

Isomeric SMILES

C1=CC(=CC=C1C(=O)[O-])NC(=O)CC2=CSC(=N2)C3=CC=NC=C3

InChI

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