(E)-3-[2-bromanyl-5-(thiophen-3-ylmethoxy)phenyl]-2-(2-methylphenyl)prop-2-enoic acid

Systemtic Name: (E)-3-[2-bromanyl-5-(thiophen-3-ylmethoxy)phenyl]-2-(2-methylphenyl)prop-2-enoic acid Openeye Name: (E)-3-[2-bromo-5-(3-thienylmethoxy)phenyl]-2-(o-tolyl)prop-2-enoic acid CAS Name: (E)-3-[2-bromo-5-(3-thiophenylmethoxy)phenyl]-2-(2-methylphenyl)-2-propenoic acid IUPAC Name: (E)-3-[2-bromo-5-(thiophen-3-ylmethoxy)phenyl]-2-(2-methylphenyl)prop-2-enoic acid Traditional Name: (E)-3-[2-bromo-5-(3-thenyloxy)phenyl]-2-(o-tolyl)acrylic acid Formula: C21H17BrO3S MolecularWeight: 429.32688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=CC2=C(C=CC(=C2)OCC3=CSC=C3)Br)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1/C(=C\C2=C(C=CC(=C2)OCC3=CSC=C3)Br)/C(=O)O

InChI

InChI=1S/C21H17BrO3S/c1-14-4-2-3-5-18(14)19(21(23)24)11-16-10-17(6-7-20(16)22)25-12-15-8-9-26-13-15/h2-11,13H,12H2,1H3,(H,23,24)/b19-11+