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

Systemtic Name: 2-[[5-[(E)-3-(3-ethoxy-4-methoxy-phenyl)prop-2-enoyl]-2-methoxy-phenyl]methylsulfanyl]ethanoic acid Openeye Name: 2-[[5-[(E)-3-(3-ethoxy-4-methoxy-phenyl)prop-2-enoyl]-2-methoxy-phenyl]methylsulfanyl]acetic acid CAS Name: 2-[[5-[(E)-3-(3-ethoxy-4-methoxyphenyl)-1-oxoprop-2-enyl]-2-methoxyphenyl]methylthio]acetic acid IUPAC Name: 2-[[5-[(E)-3-(3-ethoxy-4-methoxyphenyl)prop-2-enoyl]-2-methoxyphenyl]methylsulfanyl]acetic acid Traditional Name: 2-[[5-[(E)-3-(3-ethoxy-4-methoxy-phenyl)acryloyl]-2-methoxy-benzyl]thio]acetic acid Formula: C22H24O6S MolecularWeight: 416.48736

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=CC(=O)C2=CC(=C(C=C2)OC)CSCC(=O)O)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C/C(=O)C2=CC(=C(C=C2)OC)CSCC(=O)O)OC

InChI

InChI=1S/C22H24O6S/c1-4-28-21-11-15(6-9-20(21)27-3)5-8-18(23)16-7-10-19(26-2)17(12-16)13-29-14-22(24)25/h5-12H,4,13-14H2,1-3H3,(H,24,25)/b8-5+