methyl 2-[2-(3-methylsulfanylphenyl)carbonyl-3,5-bis(prop-2-enoxy)phenyl]butanoate

Systemtic Name: methyl 2-[2-(3-methylsulfanylphenyl)carbonyl-3,5-bis(prop-2-enoxy)phenyl]butanoate Openeye Name: methyl 2-[3,5-diallyloxy-2-(3-methylsulfanylbenzoyl)phenyl]butanoate CAS Name: 2-[2-[[3-(methylthio)phenyl]-oxomethyl]-3,5-bis(prop-2-enoxy)phenyl]butanoic acid methyl ester IUPAC Name: methyl 2-[2-(3-methylsulfanylbenzoyl)-3,5-bis(prop-2-enoxy)phenyl]butanoate Traditional Name: 2-[3,5-diallyloxy-2-[3-(methylthio)benzoyl]phenyl]butyric acid methyl ester Formula: C25H28O5S MolecularWeight: 440.55182

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC(=CC(=C1C(=O)C2=CC(=CC=C2)SC)OCC=C)OCC=C)C(=O)OC

Isomeric SMILES

CCC(C1=CC(=CC(=C1C(=O)C2=CC(=CC=C2)SC)OCC=C)OCC=C)C(=O)OC

InChI

InChI=1S/C25H28O5S/c1-6-12-29-18-15-21(20(8-3)25(27)28-4)23(22(16-18)30-13-7-2)24(26)17-10-9-11-19(14-17)31-5/h6-7,9-11,14-16,20H,1-2,8,12-13H2,3-5H3