4-[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanoylamino]benzoic acid

Systemtic Name: 4-[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanoylamino]benzoic acid Openeye Name: 4-[[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]benzoic acid CAS Name: 4-[[1-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)thio]ethyl]amino]benzoic acid IUPAC Name: 4-[[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]benzoic acid Traditional Name: 4-[[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)thio]acetyl]amino]benzoic acid Formula: C17H13N3O4S MolecularWeight: 355.36782

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN=C(O2)SCC(=O)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=NN=C(O2)SCC(=O)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C17H13N3O4S/c21-14(18-13-8-6-12(7-9-13)16(22)23)10-25-17-20-19-15(24-17)11-4-2-1-3-5-11/h1-9H,10H2,(H,18,21)(H,22,23)