[3-butylsulfanyl-6-[(E)-2-(4-methoxyphenyl)ethenyl]-4-methyl-2-oxidanylidene-pyridin-1-yl] methanesulfonate

Systemtic Name: [3-butylsulfanyl-6-[(E)-2-(4-methoxyphenyl)ethenyl]-4-methyl-2-oxidanylidene-pyridin-1-yl] methanesulfonate Openeye Name: [3-butylsulfanyl-6-[(E)-2-(4-methoxyphenyl)vinyl]-4-methyl-2-oxo-1-pyridyl] methanesulfonate CAS Name: methanesulfonic acid [3-(butylthio)-6-[(E)-2-(4-methoxyphenyl)ethenyl]-4-methyl-2-oxo-1-pyridinyl] ester IUPAC Name: [3-butylsulfanyl-6-[(E)-2-(4-methoxyphenyl)ethenyl]-4-methyl-2-oxopyridin-1-yl] methanesulfonate Traditional Name: methanesulfonic acid [3-(butylthio)-2-keto-6-[(E)-2-(4-methoxyphenyl)vinyl]-4-methyl-1-pyridyl] ester Formula: C20H25NO5S2 MolecularWeight: 423.5462

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=C(C=C(N(C1=O)OS(=O)(=O)C)C=CC2=CC=C(C=C2)OC)C

Isomeric SMILES

CCCCSC1=C(C=C(N(C1=O)OS(=O)(=O)C)/C=C/C2=CC=C(C=C2)OC)C

InChI

InChI=1S/C20H25NO5S2/c1-5-6-13-27-19-15(2)14-17(21(20(19)22)26-28(4,23)24)10-7-16-8-11-18(25-3)12-9-16/h7-12,14H,5-6,13H2,1-4H3/b10-7+