(2-tert-butyl-4-methyl-phenyl) 2-isothiocyanato-3,3-dimethyl-butanoate

Systemtic Name: (2-tert-butyl-4-methyl-phenyl) 2-isothiocyanato-3,3-dimethyl-butanoate Openeye Name: (2-tert-butyl-4-methyl-phenyl) 2-isothiocyanato-3,3-dimethyl-butanoate CAS Name: 2-isothiocyanato-3,3-dimethylbutanoic acid (2-tert-butyl-4-methylphenyl) ester IUPAC Name: (2-tert-butyl-4-methylphenyl) 2-isothiocyanato-3,3-dimethylbutanoate Traditional Name: 2-isothiocyanato-3,3-dimethyl-butyric acid (2-tert-butyl-4-methyl-phenyl) ester Formula: C18H25NO2S MolecularWeight: 319.4616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC(=O)C(C(C)(C)C)N=C=S)C(C)(C)C

Isomeric SMILES

CC1=CC(=C(C=C1)OC(=O)C(C(C)(C)C)N=C=S)C(C)(C)C

InChI

InChI=1S/C18H25NO2S/c1-12-8-9-14(13(10-12)17(2,3)4)21-16(20)15(19-11-22)18(5,6)7/h8-10,15H,1-7H3