3-[2-[1-(2-methylphenyl)ethylamino]-2-oxidanylidene-ethyl]sulfanylpropanoic acid

Systemtic Name: 3-[2-[1-(2-methylphenyl)ethylamino]-2-oxidanylidene-ethyl]sulfanylpropanoic acid Openeye Name: 3-[2-[1-(o-tolyl)ethylamino]-2-oxo-ethyl]sulfanylpropanoic acid CAS Name: 3-[[2-[1-(2-methylphenyl)ethylamino]-2-oxoethyl]thio]propanoic acid IUPAC Name: 3-[2-[1-(2-methylphenyl)ethylamino]-2-oxoethyl]sulfanylpropanoic acid Traditional Name: 3-[[2-keto-2-[1-(o-tolyl)ethylamino]ethyl]thio]propionic acid Formula: C14H19NO3S MolecularWeight: 281.37056

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C)NC(=O)CSCCC(=O)O

Isomeric SMILES

CC1=CC=CC=C1C(C)NC(=O)CSCCC(=O)O

InChI

InChI=1S/C14H19NO3S/c1-10-5-3-4-6-12(10)11(2)15-13(16)9-19-8-7-14(17)18/h3-6,11H,7-9H2,1-2H3,(H,15,16)(H,17,18)