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

Systemtic Name: 2-[[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]methylsulfanyl]benzoic acid Openeye Name: 2-[[4-(4-isopropylphenyl)thiazol-2-yl]methylsulfanyl]benzoic acid CAS Name: 2-[[4-(4-propan-2-ylphenyl)-2-thiazolyl]methylthio]benzoic acid IUPAC Name: 2-[[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]methylsulfanyl]benzoic acid Traditional Name: 2-[(4-p-cumenylthiazol-2-yl)methylthio]benzoic acid Formula: C20H19NO2S2 MolecularWeight: 369.50036

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2=CSC(=N2)CSC3=CC=CC=C3C(=O)O

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2=CSC(=N2)CSC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C20H19NO2S2/c1-13(2)14-7-9-15(10-8-14)17-11-25-19(21-17)12-24-18-6-4-3-5-16(18)20(22)23/h3-11,13H,12H2,1-2H3,(H,22,23)