2-[4-[(E)-3-(5-bromanylthiophen-2-yl)prop-2-enoyl]-2-fluoranyl-phenyl]sulfanylethanoic acid

Systemtic Name: 2-[4-[(E)-3-(5-bromanylthiophen-2-yl)prop-2-enoyl]-2-fluoranyl-phenyl]sulfanylethanoic acid Openeye Name: 2-[4-[(E)-3-(5-bromo-2-thienyl)prop-2-enoyl]-2-fluoro-phenyl]sulfanylacetic acid CAS Name: 2-[[4-[(E)-3-(5-bromo-2-thiophenyl)-1-oxoprop-2-enyl]-2-fluorophenyl]thio]acetic acid IUPAC Name: 2-[4-[(E)-3-(5-bromothiophen-2-yl)prop-2-enoyl]-2-fluorophenyl]sulfanylacetic acid Traditional Name: 2-[[4-[(E)-3-(5-bromo-2-thienyl)acryloyl]-2-fluoro-phenyl]thio]acetic acid Formula: C15H10BrFO3S2 MolecularWeight: 401.270503

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)C=CC2=CC=C(S2)Br)F)SCC(=O)O

Isomeric SMILES

C1=CC(=C(C=C1C(=O)/C=C/C2=CC=C(S2)Br)F)SCC(=O)O

InChI

InChI=1S/C15H10BrFO3S2/c16-14-6-3-10(22-14)2-4-12(18)9-1-5-13(11(17)7-9)21-8-15(19)20/h1-7H,8H2,(H,19,20)/b4-2+