methyl 2-[3-chloranyl-4-[4-(3-oxidanyl-4-propanoyl-2-propyl-phenyl)butylsulfanyl]phenyl]ethanoate

Systemtic Name: methyl 2-[3-chloranyl-4-[4-(3-oxidanyl-4-propanoyl-2-propyl-phenyl)butylsulfanyl]phenyl]ethanoate Openeye Name: methyl 2-[3-chloro-4-[4-(3-hydroxy-4-propanoyl-2-propyl-phenyl)butylsulfanyl]phenyl]acetate CAS Name: 2-[3-chloro-4-[4-[3-hydroxy-4-(1-oxopropyl)-2-propylphenyl]butylthio]phenyl]acetic acid methyl ester IUPAC Name: methyl 2-[3-chloro-4-[4-(3-hydroxy-4-propanoyl-2-propylphenyl)butylsulfanyl]phenyl]acetate Traditional Name: 2-[3-chloro-4-[4-(3-hydroxy-4-propionyl-2-propyl-phenyl)butylthio]phenyl]acetic acid methyl ester Formula: C25H31ClO4S MolecularWeight: 463.02924

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)CC)CCCCSC2=C(C=C(C=C2)CC(=O)OC)Cl

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)CC)CCCCSC2=C(C=C(C=C2)CC(=O)OC)Cl

InChI

InChI=1S/C25H31ClO4S/c1-4-8-19-18(11-12-20(25(19)29)22(27)5-2)9-6-7-14-31-23-13-10-17(15-21(23)26)16-24(28)30-3/h10-13,15,29H,4-9,14,16H2,1-3H3