3-[2-(3-ethylpent-1-yn-3-ylamino)-2-oxidanylidene-ethyl]sulfanylpropanoic acid

Systemtic Name: 3-[2-(3-ethylpent-1-yn-3-ylamino)-2-oxidanylidene-ethyl]sulfanylpropanoic acid Openeye Name: 3-[2-(1,1-diethylprop-2-ynylamino)-2-oxo-ethyl]sulfanylpropanoic acid CAS Name: 3-[[2-(3-ethylpent-1-yn-3-ylamino)-2-oxoethyl]thio]propanoic acid IUPAC Name: 3-[2-(3-ethylpent-1-yn-3-ylamino)-2-oxoethyl]sulfanylpropanoic acid Traditional Name: 3-[[2-(1,1-diethylprop-2-ynylamino)-2-keto-ethyl]thio]propionic acid Formula: C12H19NO3S MolecularWeight: 257.34916

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C#C)NC(=O)CSCCC(=O)O

Isomeric SMILES

CCC(CC)(C#C)NC(=O)CSCCC(=O)O

InChI

InChI=1S/C12H19NO3S/c1-4-12(5-2,6-3)13-10(14)9-17-8-7-11(15)16/h1H,5-9H2,2-3H3,(H,13,14)(H,15,16)