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

Systemtic Name: 2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methylsulfanyl]benzoic acid Openeye Name: 2-[[4-(4-methoxyphenyl)thiazol-2-yl]methylsulfanyl]benzoic acid CAS Name: 2-[[4-(4-methoxyphenyl)-2-thiazolyl]methylthio]benzoic acid IUPAC Name: 2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methylsulfanyl]benzoic acid Traditional Name: 2-[[4-(4-methoxyphenyl)thiazol-2-yl]methylthio]benzoic acid Formula: C18H15NO3S2 MolecularWeight: 357.4466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CSC(=N2)CSC3=CC=CC=C3C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C2=CSC(=N2)CSC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C18H15NO3S2/c1-22-13-8-6-12(7-9-13)15-10-24-17(19-15)11-23-16-5-3-2-4-14(16)18(20)21/h2-10H,11H2,1H3,(H,20,21)