4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]benzoic acid

Systemtic Name: 4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]benzoic acid Openeye Name: 4-[[2-(2-furyl)thiazol-4-yl]methylsulfanyl]benzoic acid CAS Name: 4-[[2-(2-furanyl)-4-thiazolyl]methylthio]benzoic acid IUPAC Name: 4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]benzoic acid Traditional Name: 4-[[2-(2-furyl)thiazol-4-yl]methylthio]benzoic acid Formula: C15H11NO3S2 MolecularWeight: 317.38274

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)C2=NC(=CS2)CSC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=COC(=C1)C2=NC(=CS2)CSC3=CC=C(C=C3)C(=O)O

InChI

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