tert-butyl 2-[2,6-dimethyl-4-[(E)-3-(4-methylsulfanylphenyl)-3-oxidanylidene-prop-1-enyl]phenoxy]-2-methyl-propanoate

Systemtic Name: tert-butyl 2-[2,6-dimethyl-4-[(E)-3-(4-methylsulfanylphenyl)-3-oxidanylidene-prop-1-enyl]phenoxy]-2-methyl-propanoate Openeye Name: tert-butyl 2-[2,6-dimethyl-4-[(E)-3-(4-methylsulfanylphenyl)-3-oxo-prop-1-enyl]phenoxy]-2-methyl-propanoate CAS Name: 2-[2,6-dimethyl-4-[(E)-3-[4-(methylthio)phenyl]-3-oxoprop-1-enyl]phenoxy]-2-methylpropanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[2,6-dimethyl-4-[(E)-3-(4-methylsulfanylphenyl)-3-oxoprop-1-enyl]phenoxy]-2-methylpropanoate Traditional Name: 2-[4-[(E)-3-keto-3-[4-(methylthio)phenyl]prop-1-enyl]-2,6-dimethyl-phenoxy]-2-methyl-propionic acid tert-butyl ester Formula: C26H32O4S MolecularWeight: 440.59488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC(C)(C)C(=O)OC(C)(C)C)C)C=CC(=O)C2=CC=C(C=C2)SC

Isomeric SMILES

CC1=CC(=CC(=C1OC(C)(C)C(=O)OC(C)(C)C)C)/C=C/C(=O)C2=CC=C(C=C2)SC

InChI

InChI=1S/C26H32O4S/c1-17-15-19(9-14-22(27)20-10-12-21(31-8)13-11-20)16-18(2)23(17)29-26(6,7)24(28)30-25(3,4)5/h9-16H,1-8H3/b14-9+