ethyl 5-(pentylsulfanylmethyl)furan-2-carboxylate

Systemtic Name: ethyl 5-(pentylsulfanylmethyl)furan-2-carboxylate Openeye Name: ethyl 5-(pentylsulfanylmethyl)furan-2-carboxylate CAS Name: 5-[(pentylthio)methyl]-2-furancarboxylic acid ethyl ester IUPAC Name: ethyl 5-(pentylsulfanylmethyl)furan-2-carboxylate Traditional Name: 5-[(amylthio)methyl]furan-2-carboxylic acid ethyl ester Formula: C13H20O3S MolecularWeight: 256.3611

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20O3S/c1-3-5-6-9-17-10-11-7-8-12(16-11)13(14)15-4-2/h7-8H,3-6,9-10H2,1-2H3