3-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]sulfanylpropanoic acid

Systemtic Name: 3-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]sulfanylpropanoic acid Openeye Name: 3-[2-(2-furylmethylamino)-2-oxo-ethyl]sulfanylpropanoic acid CAS Name: 3-[[2-(2-furanylmethylamino)-2-oxoethyl]thio]propanoic acid IUPAC Name: 3-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylpropanoic acid Traditional Name: 3-[[2-(2-furfurylamino)-2-keto-ethyl]thio]propionic acid Formula: C10H13NO4S MolecularWeight: 243.27952

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CNC(=O)CSCCC(=O)O

Isomeric SMILES

C1=COC(=C1)CNC(=O)CSCCC(=O)O

InChI

InChI=1S/C10H13NO4S/c12-9(7-16-5-3-10(13)14)11-6-8-2-1-4-15-8/h1-2,4H,3,5-7H2,(H,11,12)(H,13,14)