2-[[2-methoxy-5-[(E)-3-(4-phenylmethoxyphenyl)prop-2-enoyl]phenyl]methylsulfanyl]ethanoate

Systemtic Name: 2-[[2-methoxy-5-[(E)-3-(4-phenylmethoxyphenyl)prop-2-enoyl]phenyl]methylsulfanyl]ethanoate Openeye Name: 2-[[5-[(E)-3-(4-benzyloxyphenyl)prop-2-enoyl]-2-methoxy-phenyl]methylsulfanyl]acetate CAS Name: 2-[[2-methoxy-5-[(E)-1-oxo-3-(4-phenylmethoxyphenyl)prop-2-enyl]phenyl]methylthio]acetate IUPAC Name: 2-[[2-methoxy-5-[(E)-3-(4-phenylmethoxyphenyl)prop-2-enoyl]phenyl]methylsulfanyl]acetate Traditional Name: 2-[[5-[(E)-3-(4-benzoxyphenyl)acryloyl]-2-methoxy-benzyl]thio]acetate Formula: C26H23O5S- MolecularWeight: 447.52282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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