3-(1-oxidanylidene-1-phenylazanyl-propan-2-yl)sulfanylpropanoic acid

Systemtic Name: 3-(1-oxidanylidene-1-phenylazanyl-propan-2-yl)sulfanylpropanoic acid Openeye Name: 3-(2-anilino-1-methyl-2-oxo-ethyl)sulfanylpropanoic acid CAS Name: 3-[(1-anilino-1-oxopropan-2-yl)thio]propanoic acid IUPAC Name: 3-(1-anilino-1-oxopropan-2-yl)sulfanylpropanoic acid Traditional Name: 3-[(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)SCCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO3S/c1-9(17-8-7-11(14)15)12(16)13-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,13,16)(H,14,15)