3-[2-oxidanylidene-2-[(2-propan-2-ylphenyl)amino]ethyl]sulfanylpropanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1NC(=O)CSCCC(=O)O

Isomeric SMILES

CC(C)C1=CC=CC=C1NC(=O)CSCCC(=O)O

InChI

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