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

Systemtic Name: 2-[1-oxidanylidene-1-(prop-2-ynylamino)propan-2-yl]sulfanylpropanoic acid Openeye Name: 2-[1-methyl-2-oxo-2-(prop-2-ynylamino)ethyl]sulfanylpropanoic acid CAS Name: 2-[[1-oxo-1-(prop-2-ynylamino)propan-2-yl]thio]propanoic acid IUPAC Name: 2-[1-oxo-1-(prop-2-ynylamino)propan-2-yl]sulfanylpropanoic acid Traditional Name: 2-[[2-keto-1-methyl-2-(propargylamino)ethyl]thio]propionic acid Formula: C9H13NO3S MolecularWeight: 215.26942

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC#C)SC(C)C(=O)O

Isomeric SMILES

CC(C(=O)NCC#C)SC(C)C(=O)O

InChI

InChI=1S/C9H13NO3S/c1-4-5-10-8(11)6(2)14-7(3)9(12)13/h1,6-7H,5H2,2-3H3,(H,10,11)(H,12,13)