methyl 2-[4-[3-(4-butanoyl-3-oxidanyl-2-propyl-phenoxy)propylsulfanyl]-3-chloranyl-phenyl]ethanoate

Systemtic Name: methyl 2-[4-[3-(4-butanoyl-3-oxidanyl-2-propyl-phenoxy)propylsulfanyl]-3-chloranyl-phenyl]ethanoate Openeye Name: methyl 2-[4-[3-(4-butanoyl-3-hydroxy-2-propyl-phenoxy)propylsulfanyl]-3-chloro-phenyl]acetate CAS Name: 2-[3-chloro-4-[3-[3-hydroxy-4-(1-oxobutyl)-2-propylphenoxy]propylthio]phenyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-[3-(4-butanoyl-3-hydroxy-2-propylphenoxy)propylsulfanyl]-3-chlorophenyl]acetate Traditional Name: 2-[4-[3-(4-butyryl-3-hydroxy-2-propyl-phenoxy)propylthio]-3-chloro-phenyl]acetic acid methyl ester Formula: C25H31ClO5S MolecularWeight: 479.02864

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)CCC)OCCCSC2=C(C=C(C=C2)CC(=O)OC)Cl

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)CCC)OCCCSC2=C(C=C(C=C2)CC(=O)OC)Cl

InChI

InChI=1S/C25H31ClO5S/c1-4-7-19-22(11-10-18(25(19)29)21(27)8-5-2)31-13-6-14-32-23-12-9-17(15-20(23)26)16-24(28)30-3/h9-12,15,29H,4-8,13-14,16H2,1-3H3