methyl 5-[(5-bromanylpyridin-2-yl)sulfanylmethyl]-2-methyl-furan-3-carboxylate

Systemtic Name: methyl 5-[(5-bromanylpyridin-2-yl)sulfanylmethyl]-2-methyl-furan-3-carboxylate Openeye Name: methyl 5-[(5-bromo-2-pyridyl)sulfanylmethyl]-2-methyl-furan-3-carboxylate CAS Name: 5-[[(5-bromo-2-pyridinyl)thio]methyl]-2-methyl-3-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[(5-bromopyridin-2-yl)sulfanylmethyl]-2-methylfuran-3-carboxylate Traditional Name: 5-[[(5-bromo-2-pyridyl)thio]methyl]-2-methyl-furan-3-carboxylic acid methyl ester Formula: C13H12BrNO3S MolecularWeight: 342.20828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)CSC2=NC=C(C=C2)Br)C(=O)OC

Isomeric SMILES

CC1=C(C=C(O1)CSC2=NC=C(C=C2)Br)C(=O)OC

InChI

InChI=1S/C13H12BrNO3S/c1-8-11(13(16)17-2)5-10(18-8)7-19-12-4-3-9(14)6-15-12/h3-6H,7H2,1-2H3