methyl 5-(3-methylbutylsulfanylmethyl)furan-2-carboxylate

Systemtic Name: methyl 5-(3-methylbutylsulfanylmethyl)furan-2-carboxylate Openeye Name: methyl 5-(isopentylsulfanylmethyl)furan-2-carboxylate CAS Name: 5-[(3-methylbutylthio)methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-(3-methylbutylsulfanylmethyl)furan-2-carboxylate Traditional Name: 5-[(isoamylthio)methyl]furan-2-carboxylic acid methyl ester Formula: C12H18O3S MolecularWeight: 242.33452

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSCC1=CC=C(O1)C(=O)OC

Isomeric SMILES

CC(C)CCSCC1=CC=C(O1)C(=O)OC

InChI

InChI=1S/C12H18O3S/c1-9(2)6-7-16-8-10-4-5-11(15-10)12(13)14-3/h4-5,9H,6-8H2,1-3H3