3-[[5-(methylsulfanylmethyl)furan-2-yl]carbonylamino]butanoic acid

Systemtic Name: 3-[[5-(methylsulfanylmethyl)furan-2-yl]carbonylamino]butanoic acid Openeye Name: 3-[[5-(methylsulfanylmethyl)furan-2-carbonyl]amino]butanoic acid CAS Name: 3-[[[5-[(methylthio)methyl]-2-furanyl]-oxomethyl]amino]butanoic acid IUPAC Name: 3-[[5-(methylsulfanylmethyl)furan-2-carbonyl]amino]butanoic acid Traditional Name: 3-[[5-[(methylthio)methyl]-2-furoyl]amino]butyric acid Formula: C11H15NO4S MolecularWeight: 257.3061

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)NC(=O)C1=CC=C(O1)CSC

Isomeric SMILES

CC(CC(=O)O)NC(=O)C1=CC=C(O1)CSC

InChI

InChI=1S/C11H15NO4S/c1-7(5-10(13)14)12-11(15)9-4-3-8(16-9)6-17-2/h3-4,7H,5-6H2,1-2H3,(H,12,15)(H,13,14)