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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=CC=C1OC)C=CC(=O)C2=CC(=C(C=C2)OC)CSCC(=O)O

Isomeric SMILES

CC(C)OC1=C(C=CC=C1OC)/C=C/C(=O)C2=CC(=C(C=C2)OC)CSCC(=O)O

InChI

InChI=1S/C23H26O6S/c1-15(2)29-23-16(6-5-7-21(23)28-4)8-10-19(24)17-9-11-20(27-3)18(12-17)13-30-14-22(25)26/h5-12,15H,13-14H2,1-4H3,(H,25,26)/b10-8+