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

Systemtic Name: 2-[[2-methoxy-5-[(E)-3-(4-methoxycarbonylphenyl)prop-2-enoyl]phenyl]methylsulfanyl]ethanoic acid Openeye Name: 2-[[2-methoxy-5-[(E)-3-(4-methoxycarbonylphenyl)prop-2-enoyl]phenyl]methylsulfanyl]acetic acid CAS Name: 2-[[2-methoxy-5-[(E)-3-(4-methoxycarbonylphenyl)-1-oxoprop-2-enyl]phenyl]methylthio]acetic acid IUPAC Name: 2-[[2-methoxy-5-[(E)-3-(4-methoxycarbonylphenyl)prop-2-enoyl]phenyl]methylsulfanyl]acetic acid Traditional Name: 2-[[5-[(E)-3-(4-carbomethoxyphenyl)acryloyl]-2-methoxy-benzyl]thio]acetic acid Formula: C21H20O6S MolecularWeight: 400.4449

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20O6S/c1-26-19-10-8-16(11-17(19)12-28-13-20(23)24)18(22)9-5-14-3-6-15(7-4-14)21(25)27-2/h3-11H,12-13H2,1-2H3,(H,23,24)/b9-5+