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

Systemtic Name: 2-[2-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-1,3-thiazol-4-yl]ethanoate Openeye Name: 2-[2-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]thiazol-4-yl]acetate CAS Name: 2-[2-[(4-tert-butyl-2,6-dimethylphenyl)methylthio]-4-thiazolyl]acetate IUPAC Name: 2-[2-[(4-tert-butyl-2,6-dimethylphenyl)methylsulfanyl]-1,3-thiazol-4-yl]acetate Traditional Name: 2-[2-[(4-tert-butyl-2,6-dimethyl-benzyl)thio]thiazol-4-yl]acetate Formula: C18H22NO2S2- MolecularWeight: 348.50278

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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)/p-1