4-bis(fluoranyl)boranyloxy-3-[(E)-3-(5-bromanylthiophen-2-yl)prop-2-enoyl]-6-methyl-pyran-2-one

Systemtic Name: 4-bis(fluoranyl)boranyloxy-3-[(E)-3-(5-bromanylthiophen-2-yl)prop-2-enoyl]-6-methyl-pyran-2-one Openeye Name: 3-[(E)-3-(5-bromo-2-thienyl)prop-2-enoyl]-4-difluoroboranyloxy-6-methyl-pyran-2-one CAS Name: 3-[(E)-3-(5-bromo-2-thiophenyl)-1-oxoprop-2-enyl]-4-difluoroboranyloxy-6-methyl-2-pyranone IUPAC Name: 3-[(E)-3-(5-bromothiophen-2-yl)prop-2-enoyl]-4-difluoroboranyloxy-6-methylpyran-2-one Traditional Name: 3-[(E)-3-(5-bromo-2-thienyl)acryloyl]-4-difluoroboranyloxy-6-methyl-pyran-2-one Formula: C13H8BBrF2O4S MolecularWeight: 388.977026

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Descriptors Computed from Structure

Canonical SMILES:

B(OC1=C(C(=O)OC(=C1)C)C(=O)C=CC2=CC=C(S2)Br)(F)F

Isomeric SMILES

B(OC1=C(C(=O)OC(=C1)C)C(=O)/C=C/C2=CC=C(S2)Br)(F)F

InChI

InChI=1S/C13H8BBrF2O4S/c1-7-6-10(21-14(16)17)12(13(19)20-7)9(18)4-2-8-3-5-11(15)22-8/h2-6H,1H3/b4-2+