2-[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxidanylidene-ethyl]sulfanylpropanoic acid

Systemtic Name: 2-[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxidanylidene-ethyl]sulfanylpropanoic acid Openeye Name: 2-[2-[methyl(p-tolylmethyl)amino]-2-oxo-ethyl]sulfanylpropanoic acid CAS Name: 2-[[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]thio]propanoic acid IUPAC Name: 2-[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]sulfanylpropanoic acid Traditional Name: 2-[[2-keto-2-[methyl-(4-methylbenzyl)amino]ethyl]thio]propionic acid Formula: C14H19NO3S MolecularWeight: 281.37056

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN(C)C(=O)CSC(C)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)CN(C)C(=O)CSC(C)C(=O)O

InChI

InChI=1S/C14H19NO3S/c1-10-4-6-12(7-5-10)8-15(3)13(16)9-19-11(2)14(17)18/h4-7,11H,8-9H2,1-3H3,(H,17,18)