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

Systemtic Name: 2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]benzoic acid Openeye Name: 2-[[2-(2-furyl)thiazol-4-yl]methylsulfanyl]benzoic acid CAS Name: 2-[[2-(2-furanyl)-4-thiazolyl]methylthio]benzoic acid IUPAC Name: 2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]benzoic acid Traditional Name: 2-[[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=CC=C(C(=C1)C(=O)O)SCC2=CSC(=N2)C3=CC=CO3

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)SCC2=CSC(=N2)C3=CC=CO3

InChI

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