(2E)-5-butylsulfanyl-2-[methoxy(oxidanyl)methylidene]-4-phenyl-thiophen-3-one

Systemtic Name: (2E)-5-butylsulfanyl-2-[methoxy(oxidanyl)methylidene]-4-phenyl-thiophen-3-one Openeye Name: (2E)-5-butylsulfanyl-2-[hydroxy(methoxy)methylene]-4-phenyl-thiophen-3-one CAS Name: (2E)-5-(butylthio)-2-[hydroxy(methoxy)methylidene]-4-phenyl-3-thiophenone IUPAC Name: (2E)-5-butylsulfanyl-2-[hydroxy(methoxy)methylidene]-4-phenylthiophen-3-one Traditional Name: (2E)-5-(butylthio)-2-[hydroxy(methoxy)methylene]-4-phenyl-thiophen-3-one Formula: C16H18O3S2 MolecularWeight: 322.44232

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=C(C(=O)C(=C(O)OC)S1)C2=CC=CC=C2

Isomeric SMILES

CCCCSC1=C(C(=O)/C(=C(/O)\OC)/S1)C2=CC=CC=C2

InChI

InChI=1S/C16H18O3S2/c1-3-4-10-20-16-12(11-8-6-5-7-9-11)13(17)14(21-16)15(18)19-2/h5-9,18H,3-4,10H2,1-2H3/b15-14+