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

Systemtic Name: 2-[[5-[(E)-3-(5-bromanyl-2-methoxy-phenyl)prop-2-enoyl]-2-methoxy-phenyl]methylsulfanyl]ethanoic acid Openeye Name: 2-[[5-[(E)-3-(5-bromo-2-methoxy-phenyl)prop-2-enoyl]-2-methoxy-phenyl]methylsulfanyl]acetic acid CAS Name: 2-[[5-[(E)-3-(5-bromo-2-methoxyphenyl)-1-oxoprop-2-enyl]-2-methoxyphenyl]methylthio]acetic acid IUPAC Name: 2-[[5-[(E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoyl]-2-methoxyphenyl]methylsulfanyl]acetic acid Traditional Name: 2-[[5-[(E)-3-(5-bromo-2-methoxy-phenyl)acryloyl]-2-methoxy-benzyl]thio]acetic acid Formula: C20H19BrO5S MolecularWeight: 451.33086

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19BrO5S/c1-25-18-8-5-16(21)10-14(18)3-6-17(22)13-4-7-19(26-2)15(9-13)11-27-12-20(23)24/h3-10H,11-12H2,1-2H3,(H,23,24)/b6-3+