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

Systemtic Name: methyl 4-[2-cyano-4-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propylsulfanylcarbonyl]phenyl]butanoate Openeye Name: methyl 4-[4-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propylsulfanylcarbonyl]-2-cyano-phenyl]butanoate CAS Name: 4-[4-[[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propylthio]-oxomethyl]-2-cyanophenyl]butanoic acid methyl ester IUPAC Name: methyl 4-[4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propylsulfanylcarbonyl]-2-cyanophenyl]butanoate Traditional Name: 4-[4-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propylthio]carbonyl-2-cyano-phenyl]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)OCCCSC(=O)C2=CC(=C(C=C2)CCCC(=O)OC)C#N

Isomeric SMILES

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

InChI

InChI=1S/C27H31NO6S/c1-4-7-23-24(13-12-22(18(2)29)26(23)31)34-14-6-15-35-27(32)20-11-10-19(21(16-20)17-28)8-5-9-25(30)33-3/h10-13,16,31H,4-9,14-15H2,1-3H3