ethyl 2,3-bis(bromanyl)-3-[3-(phenylmethylsulfanyl)pyrazin-2-yl]propanoate

Systemtic Name: ethyl 2,3-bis(bromanyl)-3-[3-(phenylmethylsulfanyl)pyrazin-2-yl]propanoate Openeye Name: ethyl 3-(3-benzylsulfanylpyrazin-2-yl)-2,3-dibromo-propanoate CAS Name: 2,3-dibromo-3-[3-(phenylmethylthio)-2-pyrazinyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-(3-benzylsulfanylpyrazin-2-yl)-2,3-dibromopropanoate Traditional Name: 3-[3-(benzylthio)pyrazin-2-yl]-2,3-dibromo-propionic acid ethyl ester Formula: C16H16Br2N2O2S MolecularWeight: 460.18344

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C1=NC=CN=C1SCC2=CC=CC=C2)Br)Br

Isomeric SMILES

CCOC(=O)C(C(C1=NC=CN=C1SCC2=CC=CC=C2)Br)Br

InChI

InChI=1S/C16H16Br2N2O2S/c1-2-22-16(21)13(18)12(17)14-15(20-9-8-19-14)23-10-11-6-4-3-5-7-11/h3-9,12-13H,2,10H2,1H3