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

Systemtic Name: 2-[[2-methoxy-5-[(E)-3-(4-methylsulfanylphenyl)prop-2-enoyl]phenyl]methylsulfanyl]ethanoic acid Openeye Name: 2-[[2-methoxy-5-[(E)-3-(4-methylsulfanylphenyl)prop-2-enoyl]phenyl]methylsulfanyl]acetic acid CAS Name: 2-[[2-methoxy-5-[(E)-3-[4-(methylthio)phenyl]-1-oxoprop-2-enyl]phenyl]methylthio]acetic acid IUPAC Name: 2-[[2-methoxy-5-[(E)-3-(4-methylsulfanylphenyl)prop-2-enoyl]phenyl]methylsulfanyl]acetic acid Traditional Name: 2-[[2-methoxy-5-[(E)-3-[4-(methylthio)phenyl]acryloyl]benzyl]thio]acetic acid Formula: C20H20O4S2 MolecularWeight: 388.5004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20O4S2/c1-24-19-10-6-15(11-16(19)12-26-13-20(22)23)18(21)9-5-14-3-7-17(25-2)8-4-14/h3-11H,12-13H2,1-2H3,(H,22,23)/b9-5+