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

Systemtic Name: 2-(3-oxidanylidene-3-phenylazanyl-propyl)sulfanylpropanoic acid Openeye Name: 2-(3-anilino-3-oxo-propyl)sulfanylpropanoic acid CAS Name: 2-[(3-anilino-3-oxopropyl)thio]propanoic acid IUPAC Name: 2-(3-anilino-3-oxopropyl)sulfanylpropanoic acid Traditional Name: 2-[(3-anilino-3-keto-propyl)thio]propionic acid Formula: C12H15NO3S MolecularWeight: 253.3174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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