2-[3-[5-(5-oxidanylpyridin-2-yl)thiophen-2-yl]butanoylamino]benzoic acid

Systemtic Name: 2-[3-[5-(5-oxidanylpyridin-2-yl)thiophen-2-yl]butanoylamino]benzoic acid Openeye Name: 2-[3-[5-(5-hydroxy-2-pyridyl)-2-thienyl]butanoylamino]benzoic acid CAS Name: 2-[[3-[5-(5-hydroxy-2-pyridinyl)-2-thiophenyl]-1-oxobutyl]amino]benzoic acid IUPAC Name: 2-[3-[5-(5-hydroxypyridin-2-yl)thiophen-2-yl]butanoylamino]benzoic acid Traditional Name: 2-[3-[5-(5-hydroxy-2-pyridyl)-2-thienyl]butanoylamino]benzoic acid Formula: C20H18N2O4S MolecularWeight: 382.43292

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)NC1=CC=CC=C1C(=O)O)C2=CC=C(S2)C3=NC=C(C=C3)O

Isomeric SMILES

CC(CC(=O)NC1=CC=CC=C1C(=O)O)C2=CC=C(S2)C3=NC=C(C=C3)O

InChI

InChI=1S/C20H18N2O4S/c1-12(10-19(24)22-15-5-3-2-4-14(15)20(25)26)17-8-9-18(27-17)16-7-6-13(23)11-21-16/h2-9,11-12,23H,10H2,1H3,(H,22,24)(H,25,26)