2-(ethylsulfanylmethyl)furan-3-carboxylic acid

Systemtic Name: 2-(ethylsulfanylmethyl)furan-3-carboxylic acid Openeye Name: 2-(ethylsulfanylmethyl)furan-3-carboxylic acid CAS Name: 2-[(ethylthio)methyl]-3-furancarboxylic acid IUPAC Name: 2-(ethylsulfanylmethyl)furan-3-carboxylic acid Traditional Name: 2-[(ethylthio)methyl]-3-furoic acid Formula: C8H10O3S MolecularWeight: 186.2282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSCC1=C(C=CO1)C(=O)O

Isomeric SMILES

CCSCC1=C(C=CO1)C(=O)O

InChI

InChI=1S/C8H10O3S/c1-2-12-5-7-6(8(9)10)3-4-11-7/h3-4H,2,5H2,1H3,(H,9,10)