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

Systemtic Name: 2-[2-oxidanylidene-2-(2-phenylethanoylamino)ethyl]sulfanylpropanoic acid Openeye Name: 2-[2-oxo-2-[(2-phenylacetyl)amino]ethyl]sulfanylpropanoic acid CAS Name: 2-[[2-oxo-2-[(1-oxo-2-phenylethyl)amino]ethyl]thio]propanoic acid IUPAC Name: 2-[2-oxo-2-[(2-phenylacetyl)amino]ethyl]sulfanylpropanoic acid Traditional Name: 2-[[2-keto-2-[(2-phenylacetyl)amino]ethyl]thio]propionic acid Formula: C13H15NO4S MolecularWeight: 281.3275

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SCC(=O)NC(=O)CC1=CC=CC=C1

Isomeric SMILES

CC(C(=O)O)SCC(=O)NC(=O)CC1=CC=CC=C1

InChI

InChI=1S/C13H15NO4S/c1-9(13(17)18)19-8-12(16)14-11(15)7-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,17,18)(H,14,15,16)