4-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]benzoic acid

Systemtic Name: 4-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]benzoic acid Openeye Name: 4-[[5-(2-thienyl)isoxazol-3-yl]methylsulfanyl]benzoic acid CAS Name: 4-[(5-thiophen-2-yl-3-isoxazolyl)methylthio]benzoic acid IUPAC Name: 4-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]benzoic acid Traditional Name: 4-[[5-(2-thienyl)isoxazol-3-yl]methylthio]benzoic acid Formula: C15H11NO3S2 MolecularWeight: 317.38274

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2=CC(=NO2)CSC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CSC(=C1)C2=CC(=NO2)CSC3=CC=C(C=C3)C(=O)O

InChI

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