3-[1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl]sulfanylpropanoic acid

Systemtic Name: 3-[1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl]sulfanylpropanoic acid Openeye Name: 3-[2-(allylamino)-1-methyl-2-oxo-ethyl]sulfanylpropanoic acid CAS Name: 3-[[1-oxo-1-(prop-2-enylamino)propan-2-yl]thio]propanoic acid IUPAC Name: 3-[1-oxo-1-(prop-2-enylamino)propan-2-yl]sulfanylpropanoic acid Traditional Name: 3-[[2-(allylamino)-2-keto-1-methyl-ethyl]thio]propionic acid Formula: C9H15NO3S MolecularWeight: 217.2853

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC=C)SCCC(=O)O

Isomeric SMILES

CC(C(=O)NCC=C)SCCC(=O)O

InChI

InChI=1S/C9H15NO3S/c1-3-5-10-9(13)7(2)14-6-4-8(11)12/h3,7H,1,4-6H2,2H3,(H,10,13)(H,11,12)