methyl 5-[(3-bromanyl-4-methoxy-phenyl)methylsulfanylmethyl]-2-methyl-furan-3-carboxylate

Systemtic Name: methyl 5-[(3-bromanyl-4-methoxy-phenyl)methylsulfanylmethyl]-2-methyl-furan-3-carboxylate Openeye Name: methyl 5-[(3-bromo-4-methoxy-phenyl)methylsulfanylmethyl]-2-methyl-furan-3-carboxylate CAS Name: 5-[[(3-bromo-4-methoxyphenyl)methylthio]methyl]-2-methyl-3-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[(3-bromo-4-methoxyphenyl)methylsulfanylmethyl]-2-methylfuran-3-carboxylate Traditional Name: 5-[[(3-bromo-4-methoxy-benzyl)thio]methyl]-2-methyl-furan-3-carboxylic acid methyl ester Formula: C16H17BrO4S MolecularWeight: 385.27278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)CSCC2=CC(=C(C=C2)OC)Br)C(=O)OC

Isomeric SMILES

CC1=C(C=C(O1)CSCC2=CC(=C(C=C2)OC)Br)C(=O)OC

InChI

InChI=1S/C16H17BrO4S/c1-10-13(16(18)20-3)7-12(21-10)9-22-8-11-4-5-15(19-2)14(17)6-11/h4-7H,8-9H2,1-3H3