S-methyl 2-methoxy-5-[1-(4-methoxy-3-methyl-5-methylsulfanylcarbonyl-phenyl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)pent-1-enyl]-3-methyl-benzenecarbothioate

Systemtic Name: S-methyl 2-methoxy-5-[1-(4-methoxy-3-methyl-5-methylsulfanylcarbonyl-phenyl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)pent-1-enyl]-3-methyl-benzenecarbothioate Openeye Name: S-methyl 2-methoxy-5-[1-(4-methoxy-3-methyl-5-methylsulfanylcarbonyl-phenyl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)pent-1-enyl]-3-methyl-benzenecarbothioate CAS Name: 2-methoxy-5-[1-[4-methoxy-3-methyl-5-[(methylthio)-oxomethyl]phenyl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)pent-1-enyl]-3-methylbenzenecarbothioic acid S-methyl ester IUPAC Name: S-methyl 2-methoxy-5-[1-(4-methoxy-3-methyl-5-methylsulfanylcarbonylphenyl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)pent-1-enyl]-3-methylbenzenecarbothioate Traditional Name: 2-methoxy-5-[1-[4-methoxy-3-methyl-5-(methylthio)carbonyl-phenyl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)pent-1-enyl]-3-methyl-thiobenzoic acid S-methyl ester Formula: C28H32N2O5S2 MolecularWeight: 540.69408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC)C(=O)SC)C(=CCCCC2=NN=C(O2)C)C3=CC(=C(C(=C3)C)OC)C(=O)SC

Isomeric SMILES

CC1=CC(=CC(=C1OC)C(=O)SC)C(=CCCCC2=NN=C(O2)C)C3=CC(=C(C(=C3)C)OC)C(=O)SC

InChI

InChI=1S/C28H32N2O5S2/c1-16-12-19(14-22(25(16)33-4)27(31)36-6)21(10-8-9-11-24-30-29-18(3)35-24)20-13-17(2)26(34-5)23(15-20)28(32)37-7/h10,12-15H,8-9,11H2,1-7H3