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

Systemtic Name: 3-(2,2-dimethyl-3-oxidanylidene-3-phenylazanyl-propyl)sulfanylpropanoic acid Openeye Name: 3-(3-anilino-2,2-dimethyl-3-oxo-propyl)sulfanylpropanoic acid CAS Name: 3-[(3-anilino-2,2-dimethyl-3-oxopropyl)thio]propanoic acid IUPAC Name: 3-(3-anilino-2,2-dimethyl-3-oxopropyl)sulfanylpropanoic acid Traditional Name: 3-[(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)(CSCCC(=O)O)C(=O)NC1=CC=CC=C1

Isomeric SMILES

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

InChI

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