3-[2-(2-methylpropylamino)-2-oxidanylidene-ethyl]sulfanylpropanoate

Systemtic Name: 3-[2-(2-methylpropylamino)-2-oxidanylidene-ethyl]sulfanylpropanoate Openeye Name: 3-[2-(isobutylamino)-2-oxo-ethyl]sulfanylpropanoate CAS Name: 3-[[2-(2-methylpropylamino)-2-oxoethyl]thio]propanoate IUPAC Name: 3-[2-(2-methylpropylamino)-2-oxoethyl]sulfanylpropanoate Traditional Name: 3-[[2-(isobutylamino)-2-keto-ethyl]thio]propionate Formula: C9H16NO3S- MolecularWeight: 218.29324

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)CSCCC(=O)[O-]

Isomeric SMILES

CC(C)CNC(=O)CSCCC(=O)[O-]

InChI

InChI=1S/C9H17NO3S/c1-7(2)5-10-8(11)6-14-4-3-9(12)13/h7H,3-6H2,1-2H3,(H,10,11)(H,12,13)/p-1