(2S)-2-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylpropanoic acid

Systemtic Name: (2S)-2-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylpropanoic acid Openeye Name: (2S)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylpropanoic acid CAS Name: (2S)-2-[[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]thio]propanoic acid IUPAC Name: (2S)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylpropanoic acid Traditional Name: (2S)-2-[[2-keto-2-(4-phenylpiperazino)ethyl]thio]propionic acid Formula: C15H20N2O3S MolecularWeight: 308.3959

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SCC(=O)N1CCN(CC1)C2=CC=CC=C2

Isomeric SMILES

C[C@@H](C(=O)O)SCC(=O)N1CCN(CC1)C2=CC=CC=C2

InChI

InChI=1S/C15H20N2O3S/c1-12(15(19)20)21-11-14(18)17-9-7-16(8-10-17)13-5-3-2-4-6-13/h2-6,12H,7-11H2,1H3,(H,19,20)/t12-/m0/s1