(4-tert-butyl-2,6-dimethyl-phenyl)methyl 4-oxidanylidene-4-thiophen-2-yl-butanoate

Systemtic Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 4-oxidanylidene-4-thiophen-2-yl-butanoate Openeye Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 4-oxo-4-(2-thienyl)butanoate CAS Name: 4-oxo-4-thiophen-2-ylbutanoic acid (4-tert-butyl-2,6-dimethylphenyl)methyl ester IUPAC Name: (4-tert-butyl-2,6-dimethylphenyl)methyl 4-oxo-4-thiophen-2-ylbutanoate Traditional Name: 4-keto-4-(2-thienyl)butyric acid (4-tert-butyl-2,6-dimethyl-benzyl) ester Formula: C21H26O3S MolecularWeight: 358.49434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1COC(=O)CCC(=O)C2=CC=CS2)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1COC(=O)CCC(=O)C2=CC=CS2)C)C(C)(C)C

InChI

InChI=1S/C21H26O3S/c1-14-11-16(21(3,4)5)12-15(2)17(14)13-24-20(23)9-8-18(22)19-7-6-10-25-19/h6-7,10-12H,8-9,13H2,1-5H3