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

Systemtic Name: 2-[[2-methoxy-5-[(E)-3-phenylprop-2-enoyl]phenyl]methylsulfanyl]ethanoic acid Openeye Name: 2-[[2-methoxy-5-[(E)-3-phenylprop-2-enoyl]phenyl]methylsulfanyl]acetic acid CAS Name: 2-[[2-methoxy-5-[(E)-1-oxo-3-phenylprop-2-enyl]phenyl]methylthio]acetic acid IUPAC Name: 2-[[2-methoxy-5-[(E)-3-phenylprop-2-enoyl]phenyl]methylsulfanyl]acetic acid Traditional Name: 2-[[2-methoxy-5-[(E)-3-phenylacryloyl]benzyl]thio]acetic acid Formula: C19H18O4S MolecularWeight: 342.40882

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18O4S/c1-23-18-10-8-15(11-16(18)12-24-13-19(21)22)17(20)9-7-14-5-3-2-4-6-14/h2-11H,12-13H2,1H3,(H,21,22)/b9-7+