3-[1-(furan-2-ylmethylamino)-1-oxidanylidene-propan-2-yl]sulfanylpropanoic acid

Systemtic Name: 3-[1-(furan-2-ylmethylamino)-1-oxidanylidene-propan-2-yl]sulfanylpropanoic acid Openeye Name: 3-[2-(2-furylmethylamino)-1-methyl-2-oxo-ethyl]sulfanylpropanoic acid CAS Name: 3-[[1-(2-furanylmethylamino)-1-oxopropan-2-yl]thio]propanoic acid IUPAC Name: 3-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]sulfanylpropanoic acid Traditional Name: 3-[[2-(2-furfurylamino)-2-keto-1-methyl-ethyl]thio]propionic acid Formula: C11H15NO4S MolecularWeight: 257.3061

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CO1)SCCC(=O)O

Isomeric SMILES

CC(C(=O)NCC1=CC=CO1)SCCC(=O)O

InChI

InChI=1S/C11H15NO4S/c1-8(17-6-4-10(13)14)11(15)12-7-9-3-2-5-16-9/h2-3,5,8H,4,6-7H2,1H3,(H,12,15)(H,13,14)