2-(1-oxidanylidene-1-phenylazanyl-propan-2-yl)sulfanylpropanoic acid

Systemtic Name: 2-(1-oxidanylidene-1-phenylazanyl-propan-2-yl)sulfanylpropanoic acid Openeye Name: 2-(2-anilino-1-methyl-2-oxo-ethyl)sulfanylpropanoic acid CAS Name: 2-[(1-anilino-1-oxopropan-2-yl)thio]propanoic acid IUPAC Name: 2-(1-anilino-1-oxopropan-2-yl)sulfanylpropanoic acid Traditional Name: 2-[(2-anilino-2-keto-1-methyl-ethyl)thio]propionic acid Formula: C12H15NO3S MolecularWeight: 253.3174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO3S/c1-8(17-9(2)12(15)16)11(14)13-10-6-4-3-5-7-10/h3-9H,1-2H3,(H,13,14)(H,15,16)