2-[2-(3-acetamidopropylamino)-2-oxidanylidene-ethyl]sulfanylethanoate

Systemtic Name: 2-[2-(3-acetamidopropylamino)-2-oxidanylidene-ethyl]sulfanylethanoate Openeye Name: 2-[2-(3-acetamidopropylamino)-2-oxo-ethyl]sulfanylacetate CAS Name: 2-[[2-(3-acetamidopropylamino)-2-oxoethyl]thio]acetate IUPAC Name: 2-[2-(3-acetamidopropylamino)-2-oxoethyl]sulfanylacetate Traditional Name: 2-[[2-(3-acetamidopropylamino)-2-keto-ethyl]thio]acetate Formula: C9H15N2O4S- MolecularWeight: 247.2914

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCCNC(=O)CSCC(=O)[O-]

Isomeric SMILES

CC(=O)NCCCNC(=O)CSCC(=O)[O-]

InChI

InChI=1S/C9H16N2O4S/c1-7(12)10-3-2-4-11-8(13)5-16-6-9(14)15/h2-6H2,1H3,(H,10,12)(H,11,13)(H,14,15)/p-1