methyl 2-[3-chloranyl-4-[3-(3-methoxy-4-propanoyl-2-propyl-phenoxy)propylsulfanyl]phenyl]ethanoate

Systemtic Name: methyl 2-[3-chloranyl-4-[3-(3-methoxy-4-propanoyl-2-propyl-phenoxy)propylsulfanyl]phenyl]ethanoate Openeye Name: methyl 2-[3-chloro-4-[3-(3-methoxy-4-propanoyl-2-propyl-phenoxy)propylsulfanyl]phenyl]acetate CAS Name: 2-[3-chloro-4-[3-[3-methoxy-4-(1-oxopropyl)-2-propylphenoxy]propylthio]phenyl]acetic acid methyl ester IUPAC Name: methyl 2-[3-chloro-4-[3-(3-methoxy-4-propanoyl-2-propylphenoxy)propylsulfanyl]phenyl]acetate Traditional Name: 2-[3-chloro-4-[3-(3-methoxy-4-propionyl-2-propyl-phenoxy)propylthio]phenyl]acetic acid methyl ester Formula: C25H31ClO5S MolecularWeight: 479.02864

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1OC)C(=O)CC)OCCCSC2=C(C=C(C=C2)CC(=O)OC)Cl

Isomeric SMILES

CCCC1=C(C=CC(=C1OC)C(=O)CC)OCCCSC2=C(C=C(C=C2)CC(=O)OC)Cl

InChI

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