methyl 3-[2-(furan-2-ylmethylcarbamoylamino)-2-oxidanylidene-ethyl]sulfanylpropanoate

Systemtic Name: methyl 3-[2-(furan-2-ylmethylcarbamoylamino)-2-oxidanylidene-ethyl]sulfanylpropanoate Openeye Name: methyl 3-[2-(2-furylmethylcarbamoylamino)-2-oxo-ethyl]sulfanylpropanoate CAS Name: 3-[[2-[[(2-furanylmethylamino)-oxomethyl]amino]-2-oxoethyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]sulfanylpropanoate Traditional Name: 3-[[2-(2-furfurylcarbamoylamino)-2-keto-ethyl]thio]propionic acid methyl ester Formula: C12H16N2O5S MolecularWeight: 300.33084

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSCC(=O)NC(=O)NCC1=CC=CO1

Isomeric SMILES

COC(=O)CCSCC(=O)NC(=O)NCC1=CC=CO1

InChI

InChI=1S/C12H16N2O5S/c1-18-11(16)4-6-20-8-10(15)14-12(17)13-7-9-3-2-5-19-9/h2-3,5H,4,6-8H2,1H3,(H2,13,14,15,17)