methyl 5-(pentylsulfanylmethyl)furan-2-carboxylate

Systemtic Name: methyl 5-(pentylsulfanylmethyl)furan-2-carboxylate Openeye Name: methyl 5-(pentylsulfanylmethyl)furan-2-carboxylate CAS Name: 5-[(pentylthio)methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-(pentylsulfanylmethyl)furan-2-carboxylate Traditional Name: 5-[(amylthio)methyl]furan-2-carboxylic acid methyl ester Formula: C12H18O3S MolecularWeight: 242.33452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCSCC1=CC=C(O1)C(=O)OC

Isomeric SMILES

CCCCCSCC1=CC=C(O1)C(=O)OC

InChI

InChI=1S/C12H18O3S/c1-3-4-5-8-16-9-10-6-7-11(15-10)12(13)14-2/h6-7H,3-5,8-9H2,1-2H3