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

Systemtic Name: 2-[2-(3-ethylpent-1-yn-3-ylamino)-2-oxidanylidene-ethyl]sulfanylethanoic acid Openeye Name: 2-[2-(1,1-diethylprop-2-ynylamino)-2-oxo-ethyl]sulfanylacetic acid CAS Name: 2-[[2-(3-ethylpent-1-yn-3-ylamino)-2-oxoethyl]thio]acetic acid IUPAC Name: 2-[2-(3-ethylpent-1-yn-3-ylamino)-2-oxoethyl]sulfanylacetic acid Traditional Name: 2-[[2-(1,1-diethylprop-2-ynylamino)-2-keto-ethyl]thio]acetic acid Formula: C11H17NO3S MolecularWeight: 243.32258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H17NO3S/c1-4-11(5-2,6-3)12-9(13)7-16-8-10(14)15/h1H,5-8H2,2-3H3,(H,12,13)(H,14,15)