methyl 5-[5-[(E)-2-bromanylethenyl]thiophen-2-yl]-2-oxidanylidene-pentanoate

Systemtic Name: methyl 5-[5-[(E)-2-bromanylethenyl]thiophen-2-yl]-2-oxidanylidene-pentanoate Openeye Name: methyl 5-[5-[(E)-2-bromovinyl]-2-thienyl]-2-oxo-pentanoate CAS Name: 5-[5-[(E)-2-bromoethenyl]-2-thiophenyl]-2-oxopentanoic acid methyl ester IUPAC Name: methyl 5-[5-[(E)-2-bromoethenyl]thiophen-2-yl]-2-oxopentanoate Traditional Name: 5-[5-[(E)-2-bromovinyl]-2-thienyl]-2-keto-valeric acid methyl ester Formula: C12H13BrO3S MolecularWeight: 317.19882

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=O)CCCC1=CC=C(S1)C=CBr

Isomeric SMILES

COC(=O)C(=O)CCCC1=CC=C(S1)/C=C/Br

InChI

InChI=1S/C12H13BrO3S/c1-16-12(15)11(14)4-2-3-9-5-6-10(17-9)7-8-13/h5-8H,2-4H2,1H3/b8-7+