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

Systemtic Name: 2-[[5-[(E)-3-(3-bromanyl-5-ethoxy-4-methoxy-phenyl)prop-2-enoyl]-2-methoxy-phenyl]methylsulfanyl]ethanoic acid Openeye Name: 2-[[5-[(E)-3-(3-bromo-5-ethoxy-4-methoxy-phenyl)prop-2-enoyl]-2-methoxy-phenyl]methylsulfanyl]acetic acid CAS Name: 2-[[5-[(E)-3-(3-bromo-5-ethoxy-4-methoxyphenyl)-1-oxoprop-2-enyl]-2-methoxyphenyl]methylthio]acetic acid IUPAC Name: 2-[[5-[(E)-3-(3-bromo-5-ethoxy-4-methoxyphenyl)prop-2-enoyl]-2-methoxyphenyl]methylsulfanyl]acetic acid Traditional Name: 2-[[5-[(E)-3-(3-bromo-5-ethoxy-4-methoxy-phenyl)acryloyl]-2-methoxy-benzyl]thio]acetic acid Formula: C22H23BrO6S MolecularWeight: 495.38342

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=CC(=O)C2=CC(=C(C=C2)OC)CSCC(=O)O)Br)OC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=C/C(=O)C2=CC(=C(C=C2)OC)CSCC(=O)O)Br)OC

InChI

InChI=1S/C22H23BrO6S/c1-4-29-20-10-14(9-17(23)22(20)28-3)5-7-18(24)15-6-8-19(27-2)16(11-15)12-30-13-21(25)26/h5-11H,4,12-13H2,1-3H3,(H,25,26)/b7-5+