2-(2,2-dimethyl-3-oxidanylidene-3-phenylazanyl-propyl)sulfanylpropanoic acid

Systemtic Name: 2-(2,2-dimethyl-3-oxidanylidene-3-phenylazanyl-propyl)sulfanylpropanoic acid Openeye Name: 2-(3-anilino-2,2-dimethyl-3-oxo-propyl)sulfanylpropanoic acid CAS Name: 2-[(3-anilino-2,2-dimethyl-3-oxopropyl)thio]propanoic acid IUPAC Name: 2-(3-anilino-2,2-dimethyl-3-oxopropyl)sulfanylpropanoic acid Traditional Name: 2-[(3-anilino-3-keto-2,2-dimethyl-propyl)thio]propionic acid Formula: C14H19NO3S MolecularWeight: 281.37056

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SCC(C)(C)C(=O)NC1=CC=CC=C1

Isomeric SMILES

CC(C(=O)O)SCC(C)(C)C(=O)NC1=CC=CC=C1

InChI

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