4-(butylsulfanylmethyl)-5-methyl-furan-2-carboxylate

Systemtic Name: 4-(butylsulfanylmethyl)-5-methyl-furan-2-carboxylate Openeye Name: 4-(butylsulfanylmethyl)-5-methyl-furan-2-carboxylate CAS Name: 4-[(butylthio)methyl]-5-methyl-2-furancarboxylate IUPAC Name: 4-(butylsulfanylmethyl)-5-methylfuran-2-carboxylate Traditional Name: 4-[(butylthio)methyl]-5-methyl-2-furoate Formula: C11H15O3S- MolecularWeight: 227.3

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCSCC1=C(OC(=C1)C(=O)[O-])C

Isomeric SMILES

CCCCSCC1=C(OC(=C1)C(=O)[O-])C

InChI

InChI=1S/C11H16O3S/c1-3-4-5-15-7-9-6-10(11(12)13)14-8(9)2/h6H,3-5,7H2,1-2H3,(H,12,13)/p-1