2-[2-oxidanylidene-2-(phenethylamino)ethyl]sulfanylpropanoic acid

Systemtic Name: 2-[2-oxidanylidene-2-(phenethylamino)ethyl]sulfanylpropanoic acid Openeye Name: 2-[2-oxo-2-(phenethylamino)ethyl]sulfanylpropanoic acid CAS Name: 2-[[2-oxo-2-(phenethylamino)ethyl]thio]propanoic acid IUPAC Name: 2-[2-oxo-2-(phenethylamino)ethyl]sulfanylpropanoic acid Traditional Name: 2-[[2-keto-2-(phenethylamino)ethyl]thio]propionic acid Formula: C13H17NO3S MolecularWeight: 267.34398

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SCC(=O)NCCC1=CC=CC=C1

Isomeric SMILES

CC(C(=O)O)SCC(=O)NCCC1=CC=CC=C1

InChI

InChI=1S/C13H17NO3S/c1-10(13(16)17)18-9-12(15)14-8-7-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H,14,15)(H,16,17)