2-[2-oxidanylidene-2-[(2,4,6-trimethylphenyl)amino]ethyl]sulfanylpropanoic acid

Systemtic Name: 2-[2-oxidanylidene-2-[(2,4,6-trimethylphenyl)amino]ethyl]sulfanylpropanoic acid Openeye Name: 2-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfanylpropanoic acid CAS Name: 2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]thio]propanoic acid IUPAC Name: 2-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfanylpropanoic acid Traditional Name: 2-[(2-keto-2-mesidino-ethyl)thio]propionic acid Formula: C14H19NO3S MolecularWeight: 281.37056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19NO3S/c1-8-5-9(2)13(10(3)6-8)15-12(16)7-19-11(4)14(17)18/h5-6,11H,7H2,1-4H3,(H,15,16)(H,17,18)