3-[2-oxidanylidene-2-(2-phenylethanoylamino)ethyl]sulfanylpropanoic acid

Systemtic Name: 3-[2-oxidanylidene-2-(2-phenylethanoylamino)ethyl]sulfanylpropanoic acid Openeye Name: 3-[2-oxo-2-[(2-phenylacetyl)amino]ethyl]sulfanylpropanoic acid CAS Name: 3-[[2-oxo-2-[(1-oxo-2-phenylethyl)amino]ethyl]thio]propanoic acid IUPAC Name: 3-[2-oxo-2-[(2-phenylacetyl)amino]ethyl]sulfanylpropanoic acid Traditional Name: 3-[[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:

C1=CC=C(C=C1)CC(=O)NC(=O)CSCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC(=O)NC(=O)CSCCC(=O)O

InChI

InChI=1S/C13H15NO4S/c15-11(8-10-4-2-1-3-5-10)14-12(16)9-19-7-6-13(17)18/h1-5H,6-9H2,(H,17,18)(H,14,15,16)