(2S)-2-[2-(4-methylpiperazin-1-yl)-2-oxidanylidene-ethyl]sulfanylpropanoate

Systemtic Name: (2S)-2-[2-(4-methylpiperazin-1-yl)-2-oxidanylidene-ethyl]sulfanylpropanoate Openeye Name: (2S)-2-[2-(4-methylpiperazin-1-yl)-2-oxo-ethyl]sulfanylpropanoate CAS Name: (2S)-2-[[2-(4-methyl-1-piperazinyl)-2-oxoethyl]thio]propanoate IUPAC Name: (2S)-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]sulfanylpropanoate Traditional Name: (2S)-2-[[2-keto-2-(4-methylpiperazino)ethyl]thio]propionate Formula: C10H17N2O3S- MolecularWeight: 245.31858

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])SCC(=O)N1CCN(CC1)C

Isomeric SMILES

C[C@@H](C(=O)[O-])SCC(=O)N1CCN(CC1)C

InChI

InChI=1S/C10H18N2O3S/c1-8(10(14)15)16-7-9(13)12-5-3-11(2)4-6-12/h8H,3-7H2,1-2H3,(H,14,15)/p-1/t8-/m0/s1