2-ethylsulfanyl-3-(furan-3-ylcarbonyl)-2-methyl-butanedioic acid

Systemtic Name: 2-ethylsulfanyl-3-(furan-3-ylcarbonyl)-2-methyl-butanedioic acid Openeye Name: 2-ethylsulfanyl-3-(furan-3-carbonyl)-2-methyl-butanedioic acid CAS Name: 2-(ethylthio)-3-[3-furanyl(oxo)methyl]-2-methylbutanedioic acid IUPAC Name: 2-ethylsulfanyl-3-(furan-3-carbonyl)-2-methylbutanedioic acid Traditional Name: 2-(ethylthio)-3-(3-furoyl)-2-methyl-succinic acid Formula: C12H14O6S MolecularWeight: 286.30096

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSC(C)(C(C(=O)C1=COC=C1)C(=O)O)C(=O)O

Isomeric SMILES

CCSC(C)(C(C(=O)C1=COC=C1)C(=O)O)C(=O)O

InChI

InChI=1S/C12H14O6S/c1-3-19-12(2,11(16)17)8(10(14)15)9(13)7-4-5-18-6-7/h4-6,8H,3H2,1-2H3,(H,14,15)(H,16,17)