4-(carboxymethylsulfanylmethyl)-2-methyl-5-(2-methylpropyl)furan-3-carboxylic acid

Systemtic Name: 4-(carboxymethylsulfanylmethyl)-2-methyl-5-(2-methylpropyl)furan-3-carboxylic acid Openeye Name: 4-(carboxymethylsulfanylmethyl)-5-isobutyl-2-methyl-furan-3-carboxylic acid CAS Name: 4-[(carboxymethylthio)methyl]-2-methyl-5-(2-methylpropyl)-3-furancarboxylic acid IUPAC Name: 4-(carboxymethylsulfanylmethyl)-2-methyl-5-(2-methylpropyl)furan-3-carboxylic acid Traditional Name: 4-[(carboxymethylthio)methyl]-5-isobutyl-2-methyl-3-furoic acid Formula: C13H18O5S MolecularWeight: 286.34402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(O1)CC(C)C)CSCC(=O)O)C(=O)O

Isomeric SMILES

CC1=C(C(=C(O1)CC(C)C)CSCC(=O)O)C(=O)O

InChI

InChI=1S/C13H18O5S/c1-7(2)4-10-9(5-19-6-11(14)15)12(13(16)17)8(3)18-10/h7H,4-6H2,1-3H3,(H,14,15)(H,16,17)