2-[[5-[(E)-3-(4-butoxy-3-ethoxy-phenyl)prop-2-enoyl]-2-methoxy-phenyl]methylsulfanyl]ethanoic acid

Systemtic Name: 2-[[5-[(E)-3-(4-butoxy-3-ethoxy-phenyl)prop-2-enoyl]-2-methoxy-phenyl]methylsulfanyl]ethanoic acid Openeye Name: 2-[[5-[(E)-3-(4-butoxy-3-ethoxy-phenyl)prop-2-enoyl]-2-methoxy-phenyl]methylsulfanyl]acetic acid CAS Name: 2-[[5-[(E)-3-(4-butoxy-3-ethoxyphenyl)-1-oxoprop-2-enyl]-2-methoxyphenyl]methylthio]acetic acid IUPAC Name: 2-[[5-[(E)-3-(4-butoxy-3-ethoxyphenyl)prop-2-enoyl]-2-methoxyphenyl]methylsulfanyl]acetic acid Traditional Name: 2-[[5-[(E)-3-(4-butoxy-3-ethoxy-phenyl)acryloyl]-2-methoxy-benzyl]thio]acetic acid Formula: C25H30O6S MolecularWeight: 458.5671

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C=CC(=O)C2=CC(=C(C=C2)OC)CSCC(=O)O)OCC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)/C=C/C(=O)C2=CC(=C(C=C2)OC)CSCC(=O)O)OCC

InChI

InChI=1S/C25H30O6S/c1-4-6-13-31-23-11-8-18(14-24(23)30-5-2)7-10-21(26)19-9-12-22(29-3)20(15-19)16-32-17-25(27)28/h7-12,14-15H,4-6,13,16-17H2,1-3H3,(H,27,28)/b10-7+