2-[[2-(4-tert-butyl-1,3-thiazol-2-yl)-1-benzofuran-5-yl]methylsulfanyl]benzoic acid

Systemtic Name: 2-[[2-(4-tert-butyl-1,3-thiazol-2-yl)-1-benzofuran-5-yl]methylsulfanyl]benzoic acid Openeye Name: 2-[[2-(4-tert-butylthiazol-2-yl)benzofuran-5-yl]methylsulfanyl]benzoic acid CAS Name: 2-[[2-(4-tert-butyl-2-thiazolyl)-5-benzofuranyl]methylthio]benzoic acid IUPAC Name: 2-[[2-(4-tert-butyl-1,3-thiazol-2-yl)-1-benzofuran-5-yl]methylsulfanyl]benzoic acid Traditional Name: 2-[[2-(4-tert-butylthiazol-2-yl)benzofuran-5-yl]methylthio]benzoic acid Formula: C23H21NO3S2 MolecularWeight: 423.54774

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CSC(=N1)C2=CC3=C(O2)C=CC(=C3)CSC4=CC=CC=C4C(=O)O

Isomeric SMILES

CC(C)(C)C1=CSC(=N1)C2=CC3=C(O2)C=CC(=C3)CSC4=CC=CC=C4C(=O)O

InChI

InChI=1S/C23H21NO3S2/c1-23(2,3)20-13-29-21(24-20)18-11-15-10-14(8-9-17(15)27-18)12-28-19-7-5-4-6-16(19)22(25)26/h4-11,13H,12H2,1-3H3,(H,25,26)