(E)-1-(2,5-diethylthiophen-3-yl)sulfanyl-4-methoxy-4-oxidanyl-but-3-en-2-one

Systemtic Name: (E)-1-(2,5-diethylthiophen-3-yl)sulfanyl-4-methoxy-4-oxidanyl-but-3-en-2-one Openeye Name: (E)-1-[(2,5-diethyl-3-thienyl)sulfanyl]-4-hydroxy-4-methoxy-but-3-en-2-one CAS Name: (E)-1-[(2,5-diethyl-3-thiophenyl)thio]-4-hydroxy-4-methoxy-3-buten-2-one IUPAC Name: (E)-1-(2,5-diethylthiophen-3-yl)sulfanyl-4-hydroxy-4-methoxybut-3-en-2-one Traditional Name: (E)-1-[(2,5-diethyl-3-thienyl)thio]-4-hydroxy-4-methoxy-but-3-en-2-one Formula: C13H18O3S2 MolecularWeight: 286.41022

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)CC)SCC(=O)C=C(O)OC

Isomeric SMILES

CCC1=CC(=C(S1)CC)SCC(=O)/C=C(\O)/OC

InChI

InChI=1S/C13H18O3S2/c1-4-10-7-12(11(5-2)18-10)17-8-9(14)6-13(15)16-3/h6-7,15H,4-5,8H2,1-3H3/b13-6+