S-methyl 3-chloranyl-5-[1-(3-chloranyl-4-methyl-5-methylsulfanylcarbonyl-phenyl)-6-oxidanylidene-hept-1-enyl]-2-methyl-benzenecarbothioate

Systemtic Name: S-methyl 3-chloranyl-5-[1-(3-chloranyl-4-methyl-5-methylsulfanylcarbonyl-phenyl)-6-oxidanylidene-hept-1-enyl]-2-methyl-benzenecarbothioate Openeye Name: S-methyl 3-chloro-5-[1-(3-chloro-4-methyl-5-methylsulfanylcarbonyl-phenyl)-6-oxo-hept-1-enyl]-2-methyl-benzenecarbothioate CAS Name: 3-chloro-5-[1-[3-chloro-4-methyl-5-[(methylthio)-oxomethyl]phenyl]-6-oxohept-1-enyl]-2-methylbenzenecarbothioic acid S-methyl ester IUPAC Name: S-methyl 3-chloro-5-[1-(3-chloro-4-methyl-5-methylsulfanylcarbonylphenyl)-6-oxohept-1-enyl]-2-methylbenzenecarbothioate Traditional Name: 3-chloro-5-[1-[3-chloro-4-methyl-5-(methylthio)carbonyl-phenyl]-6-keto-hept-1-enyl]-2-methyl-thiobenzoic acid S-methyl ester Formula: C25H26Cl2O3S2 MolecularWeight: 509.50814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1Cl)C(=CCCCC(=O)C)C2=CC(=C(C(=C2)Cl)C)C(=O)SC)C(=O)SC

Isomeric SMILES

CC1=C(C=C(C=C1Cl)C(=CCCCC(=O)C)C2=CC(=C(C(=C2)Cl)C)C(=O)SC)C(=O)SC

InChI

InChI=1S/C25H26Cl2O3S2/c1-14(28)8-6-7-9-19(17-10-20(24(29)31-4)15(2)22(26)12-17)18-11-21(25(30)32-5)16(3)23(27)13-18/h9-13H,6-8H2,1-5H3