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

Systemtic Name: 2-[[2-methoxy-5-[(E)-3-(2-phenylmethoxyphenyl)prop-2-enoyl]phenyl]methylsulfanyl]ethanoic acid Openeye Name: 2-[[5-[(E)-3-(2-benzyloxyphenyl)prop-2-enoyl]-2-methoxy-phenyl]methylsulfanyl]acetic acid CAS Name: 2-[[2-methoxy-5-[(E)-1-oxo-3-(2-phenylmethoxyphenyl)prop-2-enyl]phenyl]methylthio]acetic acid IUPAC Name: 2-[[2-methoxy-5-[(E)-3-(2-phenylmethoxyphenyl)prop-2-enoyl]phenyl]methylsulfanyl]acetic acid Traditional Name: 2-[[5-[(E)-3-(2-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=C2OCC3=CC=CC=C3)CSCC(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)/C=C/C2=CC=CC=C2OCC3=CC=CC=C3)CSCC(=O)O

InChI

InChI=1S/C26H24O5S/c1-30-24-14-12-21(15-22(24)17-32-18-26(28)29)23(27)13-11-20-9-5-6-10-25(20)31-16-19-7-3-2-4-8-19/h2-15H,16-18H2,1H3,(H,28,29)/b13-11+