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

Systemtic Name: S-methyl 2-methoxy-5-[1-(4-methoxy-3-methyl-5-methylsulfanylcarbonyl-phenyl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)but-1-enyl]-3-methyl-benzenecarbothioate Openeye Name: S-methyl 2-methoxy-5-[1-(4-methoxy-3-methyl-5-methylsulfanylcarbonyl-phenyl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)but-1-enyl]-3-methyl-benzenecarbothioate CAS Name: 2-methoxy-5-[1-[4-methoxy-3-methyl-5-[(methylthio)-oxomethyl]phenyl]-4-(5-methyl-1,3,4-oxadiazol-2-yl)but-1-enyl]-3-methylbenzenecarbothioic acid S-methyl ester IUPAC Name: S-methyl 2-methoxy-5-[1-(4-methoxy-3-methyl-5-methylsulfanylcarbonylphenyl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)but-1-enyl]-3-methylbenzenecarbothioate Traditional Name: 2-methoxy-5-[1-[4-methoxy-3-methyl-5-(methylthio)carbonyl-phenyl]-4-(5-methyl-1,3,4-oxadiazol-2-yl)but-1-enyl]-3-methyl-thiobenzoic acid S-methyl ester Formula: C27H30N2O5S2 MolecularWeight: 526.6675

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC)C(=O)SC)C(=CCCC2=NN=C(O2)C)C3=CC(=C(C(=C3)C)OC)C(=O)SC

Isomeric SMILES

CC1=CC(=CC(=C1OC)C(=O)SC)C(=CCCC2=NN=C(O2)C)C3=CC(=C(C(=C3)C)OC)C(=O)SC

InChI

InChI=1S/C27H30N2O5S2/c1-15-11-18(13-21(24(15)32-4)26(30)35-6)20(9-8-10-23-29-28-17(3)34-23)19-12-16(2)25(33-5)22(14-19)27(31)36-7/h9,11-14H,8,10H2,1-7H3