(2S)-2-[2-(4-chloranylphenoxy)ethanethioylamino]pentanedioic acid

Systemtic Name: (2S)-2-[2-(4-chloranylphenoxy)ethanethioylamino]pentanedioic acid Openeye Name: (2S)-2-[[2-(4-chlorophenoxy)ethanethioyl]amino]pentanedioic acid CAS Name: (2S)-2-[[2-(4-chlorophenoxy)-1-sulfanylideneethyl]amino]pentanedioic acid IUPAC Name: (2S)-2-[[2-(4-chlorophenoxy)ethanethioyl]amino]pentanedioic acid Traditional Name: (2S)-2-[[2-(4-chlorophenoxy)thioacetyl]amino]glutaric acid Formula: C13H14ClNO5S MolecularWeight: 331.77196

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1OCC(=S)NC(CCC(=O)O)C(=O)O)Cl

Isomeric SMILES

C1=CC(=CC=C1OCC(=S)N[C@@H](CCC(=O)O)C(=O)O)Cl

InChI

InChI=1S/C13H14ClNO5S/c14-8-1-3-9(4-2-8)20-7-11(21)15-10(13(18)19)5-6-12(16)17/h1-4,10H,5-7H2,(H,15,21)(H,16,17)(H,18,19)/t10-/m0/s1