methyl 4-[2-cyano-4-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propylsulfanyl]phenyl]-3-methyl-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-[2-cyano-4-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propylsulfanyl]phenyl]-3-methyl-4-oxidanylidene-butanoate Openeye Name: methyl 4-[4-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propylsulfanyl]-2-cyano-phenyl]-3-methyl-4-oxo-butanoate CAS Name: 4-[4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propylthio]-2-cyanophenyl]-3-methyl-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propylsulfanyl]-2-cyanophenyl]-3-methyl-4-oxobutanoate Traditional Name: 4-[4-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propylthio]-2-cyano-phenyl]-4-keto-3-methyl-butyric acid methyl ester Formula: C27H31NO6S MolecularWeight: 497.60314

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCSC2=CC(=C(C=C2)C(=O)C(C)CC(=O)OC)C#N

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCSC2=CC(=C(C=C2)C(=O)C(C)CC(=O)OC)C#N

InChI

InChI=1S/C27H31NO6S/c1-5-7-23-24(11-10-21(18(3)29)27(23)32)34-12-6-13-35-20-8-9-22(19(15-20)16-28)26(31)17(2)14-25(30)33-4/h8-11,15,17,32H,5-7,12-14H2,1-4H3