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

Systemtic Name: 2-[[2-methoxy-5-[(E)-3-(4-methoxy-3-propoxy-phenyl)prop-2-enoyl]phenyl]methylsulfanyl]ethanoic acid Openeye Name: 2-[[2-methoxy-5-[(E)-3-(4-methoxy-3-propoxy-phenyl)prop-2-enoyl]phenyl]methylsulfanyl]acetic acid CAS Name: 2-[[2-methoxy-5-[(E)-3-(4-methoxy-3-propoxyphenyl)-1-oxoprop-2-enyl]phenyl]methylthio]acetic acid IUPAC Name: 2-[[2-methoxy-5-[(E)-3-(4-methoxy-3-propoxyphenyl)prop-2-enoyl]phenyl]methylsulfanyl]acetic acid Traditional Name: 2-[[2-methoxy-5-[(E)-3-(4-methoxy-3-propoxy-phenyl)acryloyl]benzyl]thio]acetic acid Formula: C23H26O6S MolecularWeight: 430.51394

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=CC(=C1)C=CC(=O)C2=CC(=C(C=C2)OC)CSCC(=O)O)OC

Isomeric SMILES

CCCOC1=C(C=CC(=C1)/C=C/C(=O)C2=CC(=C(C=C2)OC)CSCC(=O)O)OC

InChI

InChI=1S/C23H26O6S/c1-4-11-29-22-12-16(6-9-21(22)28-3)5-8-19(24)17-7-10-20(27-2)18(13-17)14-30-15-23(25)26/h5-10,12-13H,4,11,14-15H2,1-3H3,(H,25,26)/b8-5+