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

Systemtic Name: 2-[[5-[(E)-3-(4-butoxy-3-methoxy-phenyl)prop-2-enoyl]-2-methoxy-phenyl]methylsulfanyl]ethanoic acid Openeye Name: 2-[[5-[(E)-3-(4-butoxy-3-methoxy-phenyl)prop-2-enoyl]-2-methoxy-phenyl]methylsulfanyl]acetic acid CAS Name: 2-[[5-[(E)-3-(4-butoxy-3-methoxyphenyl)-1-oxoprop-2-enyl]-2-methoxyphenyl]methylthio]acetic acid IUPAC Name: 2-[[5-[(E)-3-(4-butoxy-3-methoxyphenyl)prop-2-enoyl]-2-methoxyphenyl]methylsulfanyl]acetic acid Traditional Name: 2-[[5-[(E)-3-(4-butoxy-3-methoxy-phenyl)acryloyl]-2-methoxy-benzyl]thio]acetic acid Formula: C24H28O6S MolecularWeight: 444.54052

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C24H28O6S/c1-4-5-12-30-22-10-7-17(13-23(22)29-3)6-9-20(25)18-8-11-21(28-2)19(14-18)15-31-16-24(26)27/h6-11,13-14H,4-5,12,15-16H2,1-3H3,(H,26,27)/b9-6+