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

Systemtic Name: 2-[1-(furan-2-ylmethylamino)-1-oxidanylidene-propan-2-yl]sulfanylethanoic acid Openeye Name: 2-[2-(2-furylmethylamino)-1-methyl-2-oxo-ethyl]sulfanylacetic acid CAS Name: 2-[[1-(2-furanylmethylamino)-1-oxopropan-2-yl]thio]acetic acid IUPAC Name: 2-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]sulfanylacetic acid Traditional Name: 2-[[2-(2-furfurylamino)-2-keto-1-methyl-ethyl]thio]acetic acid Formula: C10H13NO4S MolecularWeight: 243.27952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H13NO4S/c1-7(16-6-9(12)13)10(14)11-5-8-3-2-4-15-8/h2-4,7H,5-6H2,1H3,(H,11,14)(H,12,13)