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

Systemtic Name: 2-[[2-methoxy-5-[(E)-3-(4-methoxy-3-phenylmethoxy-phenyl)prop-2-enoyl]phenyl]methylsulfanyl]ethanoic acid Openeye Name: 2-[[5-[(E)-3-(3-benzyloxy-4-methoxy-phenyl)prop-2-enoyl]-2-methoxy-phenyl]methylsulfanyl]acetic acid CAS Name: 2-[[2-methoxy-5-[(E)-3-(4-methoxy-3-phenylmethoxyphenyl)-1-oxoprop-2-enyl]phenyl]methylthio]acetic acid IUPAC Name: 2-[[2-methoxy-5-[(E)-3-(4-methoxy-3-phenylmethoxyphenyl)prop-2-enoyl]phenyl]methylsulfanyl]acetic acid Traditional Name: 2-[[5-[(E)-3-(3-benzoxy-4-methoxy-phenyl)acryloyl]-2-methoxy-benzyl]thio]acetic acid Formula: C27H26O6S MolecularWeight: 478.55674

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)C=CC2=CC(=C(C=C2)OC)OCC3=CC=CC=C3)CSCC(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)/C=C/C2=CC(=C(C=C2)OC)OCC3=CC=CC=C3)CSCC(=O)O

InChI

InChI=1S/C27H26O6S/c1-31-24-13-10-21(15-22(24)17-34-18-27(29)30)23(28)11-8-19-9-12-25(32-2)26(14-19)33-16-20-6-4-3-5-7-20/h3-15H,16-18H2,1-2H3,(H,29,30)/b11-8+