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

Systemtic Name: 2-[[5-[(E)-3-(2-bromanyl-4-methoxy-5-oxidanyl-phenyl)prop-2-enoyl]-2-methoxy-phenyl]methylsulfanyl]ethanoic acid Openeye Name: 2-[[5-[(E)-3-(2-bromo-5-hydroxy-4-methoxy-phenyl)prop-2-enoyl]-2-methoxy-phenyl]methylsulfanyl]acetic acid CAS Name: 2-[[5-[(E)-3-(2-bromo-5-hydroxy-4-methoxyphenyl)-1-oxoprop-2-enyl]-2-methoxyphenyl]methylthio]acetic acid IUPAC Name: 2-[[5-[(E)-3-(2-bromo-5-hydroxy-4-methoxyphenyl)prop-2-enoyl]-2-methoxyphenyl]methylsulfanyl]acetic acid Traditional Name: 2-[[5-[(E)-3-(2-bromo-5-hydroxy-4-methoxy-phenyl)acryloyl]-2-methoxy-benzyl]thio]acetic acid Formula: C20H19BrO6S MolecularWeight: 467.33026

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)C=CC2=CC(=C(C=C2Br)OC)O)CSCC(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)/C=C/C2=CC(=C(C=C2Br)OC)O)CSCC(=O)O

InChI

InChI=1S/C20H19BrO6S/c1-26-18-6-4-13(7-14(18)10-28-11-20(24)25)16(22)5-3-12-8-17(23)19(27-2)9-15(12)21/h3-9,23H,10-11H2,1-2H3,(H,24,25)/b5-3+