2-[2-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-1,3-thiazol-4-yl]ethanoic acid

Systemtic Name: 2-[2-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-1,3-thiazol-4-yl]ethanoic acid Openeye Name: 2-[2-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]thiazol-4-yl]acetic acid CAS Name: 2-[2-[(4-tert-butyl-2,6-dimethylphenyl)methylthio]-4-thiazolyl]acetic acid IUPAC Name: 2-[2-[(4-tert-butyl-2,6-dimethylphenyl)methylsulfanyl]-1,3-thiazol-4-yl]acetic acid Traditional Name: 2-[2-[(4-tert-butyl-2,6-dimethyl-benzyl)thio]thiazol-4-yl]acetic acid Formula: C18H23NO2S2 MolecularWeight: 349.51072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CSC2=NC(=CS2)CC(=O)O)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1CSC2=NC(=CS2)CC(=O)O)C)C(C)(C)C

InChI

InChI=1S/C18H23NO2S2/c1-11-6-13(18(3,4)5)7-12(2)15(11)10-23-17-19-14(9-22-17)8-16(20)21/h6-7,9H,8,10H2,1-5H3,(H,20,21)