4-[methyl-[5-(methylsulfanylmethyl)furan-2-yl]carbonyl-amino]butanoic acid

Systemtic Name: 4-[methyl-[5-(methylsulfanylmethyl)furan-2-yl]carbonyl-amino]butanoic acid Openeye Name: 4-[methyl-[5-(methylsulfanylmethyl)furan-2-carbonyl]amino]butanoic acid CAS Name: 4-[methyl-[[5-[(methylthio)methyl]-2-furanyl]-oxomethyl]amino]butanoic acid IUPAC Name: 4-[methyl-[5-(methylsulfanylmethyl)furan-2-carbonyl]amino]butanoic acid Traditional Name: 4-[methyl-[5-[(methylthio)methyl]-2-furoyl]amino]butyric acid Formula: C12H17NO4S MolecularWeight: 271.33268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC(=O)O)C(=O)C1=CC=C(O1)CSC

Isomeric SMILES

CN(CCCC(=O)O)C(=O)C1=CC=C(O1)CSC

InChI

InChI=1S/C12H17NO4S/c1-13(7-3-4-11(14)15)12(16)10-6-5-9(17-10)8-18-2/h5-6H,3-4,7-8H2,1-2H3,(H,14,15)