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

Systemtic Name: 2-[[2-methoxy-5-[(E)-3-(4-phenylphenyl)prop-2-enoyl]phenyl]methylsulfanyl]ethanoic acid Openeye Name: 2-[[2-methoxy-5-[(E)-3-(4-phenylphenyl)prop-2-enoyl]phenyl]methylsulfanyl]acetic acid CAS Name: 2-[[2-methoxy-5-[(E)-1-oxo-3-(4-phenylphenyl)prop-2-enyl]phenyl]methylthio]acetic acid IUPAC Name: 2-[[2-methoxy-5-[(E)-3-(4-phenylphenyl)prop-2-enoyl]phenyl]methylsulfanyl]acetic acid Traditional Name: 2-[[2-methoxy-5-[(E)-3-(4-phenylphenyl)acryloyl]benzyl]thio]acetic acid Formula: C25H22O4S MolecularWeight: 418.50478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H22O4S/c1-29-24-14-12-21(15-22(24)16-30-17-25(27)28)23(26)13-9-18-7-10-20(11-8-18)19-5-3-2-4-6-19/h2-15H,16-17H2,1H3,(H,27,28)/b13-9+