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

Systemtic Name: 2-[[2-methoxy-5-[(E)-3-(3-phenylmethoxyphenyl)prop-2-enoyl]phenyl]methylsulfanyl]ethanoic acid Openeye Name: 2-[[5-[(E)-3-(3-benzyloxyphenyl)prop-2-enoyl]-2-methoxy-phenyl]methylsulfanyl]acetic acid CAS Name: 2-[[2-methoxy-5-[(E)-1-oxo-3-(3-phenylmethoxyphenyl)prop-2-enyl]phenyl]methylthio]acetic acid IUPAC Name: 2-[[2-methoxy-5-[(E)-3-(3-phenylmethoxyphenyl)prop-2-enoyl]phenyl]methylsulfanyl]acetic acid Traditional Name: 2-[[5-[(E)-3-(3-benzoxyphenyl)acryloyl]-2-methoxy-benzyl]thio]acetic acid Formula: C26H24O5S MolecularWeight: 448.53076

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H24O5S/c1-30-25-13-11-21(15-22(25)17-32-18-26(28)29)24(27)12-10-19-8-5-9-23(14-19)31-16-20-6-3-2-4-7-20/h2-15H,16-18H2,1H3,(H,28,29)/b12-10+