2-[(4-oxidanylidene-4-phenyl-butanethioyl)amino]propanoic acid

Systemtic Name: 2-[(4-oxidanylidene-4-phenyl-butanethioyl)amino]propanoic acid Openeye Name: 2-[(4-oxo-4-phenyl-butanethioyl)amino]propanoic acid CAS Name: 2-[(4-oxo-4-phenyl-1-sulfanylidenebutyl)amino]propanoic acid IUPAC Name: 2-[(4-oxo-4-phenylbutanethioyl)amino]propanoic acid Traditional Name: 2-[(4-keto-4-phenyl-butanethioyl)amino]propionic acid Formula: C13H15NO3S MolecularWeight: 265.3281

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO3S/c1-9(13(16)17)14-12(18)8-7-11(15)10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,14,18)(H,16,17)