2-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]benzoic acid

Systemtic Name: 2-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]benzoic acid Openeye Name: 2-[[2-(2-thienyl)oxazol-4-yl]methylsulfanyl]benzoic acid CAS Name: 2-[(2-thiophen-2-yl-4-oxazolyl)methylthio]benzoic acid IUPAC Name: 2-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]benzoic acid Traditional Name: 2-[[2-(2-thienyl)oxazol-4-yl]methylthio]benzoic acid Formula: C15H11NO3S2 MolecularWeight: 317.38274

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)SCC2=COC(=N2)C3=CC=CS3

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)SCC2=COC(=N2)C3=CC=CS3

InChI

InChI=1S/C15H11NO3S2/c17-15(18)11-4-1-2-5-12(11)21-9-10-8-19-14(16-10)13-6-3-7-20-13/h1-8H,9H2,(H,17,18)