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

Systemtic Name: 2-[2-oxidanylidene-2-(3-phenylpropylamino)ethyl]sulfanylpropanoic acid Openeye Name: 2-[2-oxo-2-(3-phenylpropylamino)ethyl]sulfanylpropanoic acid CAS Name: 2-[[2-oxo-2-(3-phenylpropylamino)ethyl]thio]propanoic acid IUPAC Name: 2-[2-oxo-2-(3-phenylpropylamino)ethyl]sulfanylpropanoic acid Traditional Name: 2-[[2-keto-2-(3-phenylpropylamino)ethyl]thio]propionic acid Formula: C14H19NO3S MolecularWeight: 281.37056

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SCC(=O)NCCCC1=CC=CC=C1

Isomeric SMILES

CC(C(=O)O)SCC(=O)NCCCC1=CC=CC=C1

InChI

InChI=1S/C14H19NO3S/c1-11(14(17)18)19-10-13(16)15-9-5-8-12-6-3-2-4-7-12/h2-4,6-7,11H,5,8-10H2,1H3,(H,15,16)(H,17,18)