3-[2-oxidanylidene-2-(prop-2-enylcarbamoylamino)ethyl]sulfanylpropanoic acid

Systemtic Name: 3-[2-oxidanylidene-2-(prop-2-enylcarbamoylamino)ethyl]sulfanylpropanoic acid Openeye Name: 3-[2-(allylcarbamoylamino)-2-oxo-ethyl]sulfanylpropanoic acid CAS Name: 3-[[2-oxo-2-[[oxo-(prop-2-enylamino)methyl]amino]ethyl]thio]propanoic acid IUPAC Name: 3-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]sulfanylpropanoic acid Traditional Name: 3-[[2-(allylcarbamoylamino)-2-keto-ethyl]thio]propionic acid Formula: C9H14N2O4S MolecularWeight: 246.28346

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)NC(=O)CSCCC(=O)O

Isomeric SMILES

C=CCNC(=O)NC(=O)CSCCC(=O)O

InChI

InChI=1S/C9H14N2O4S/c1-2-4-10-9(15)11-7(12)6-16-5-3-8(13)14/h2H,1,3-6H2,(H,13,14)(H2,10,11,12,15)