2-[2-[2-(3-chlorophenyl)ethylamino]-2-oxidanylidene-ethyl]sulfanylpropanoic acid

Systemtic Name: 2-[2-[2-(3-chlorophenyl)ethylamino]-2-oxidanylidene-ethyl]sulfanylpropanoic acid Openeye Name: 2-[2-[2-(3-chlorophenyl)ethylamino]-2-oxo-ethyl]sulfanylpropanoic acid CAS Name: 2-[[2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl]thio]propanoic acid IUPAC Name: 2-[2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl]sulfanylpropanoic acid Traditional Name: 2-[[2-[2-(3-chlorophenyl)ethylamino]-2-keto-ethyl]thio]propionic acid Formula: C13H16ClNO3S MolecularWeight: 301.78904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16ClNO3S/c1-9(13(17)18)19-8-12(16)15-6-5-10-3-2-4-11(14)7-10/h2-4,7,9H,5-6,8H2,1H3,(H,15,16)(H,17,18)