2-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]sulfanylpropanoic acid

Systemtic Name: 2-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]sulfanylpropanoic acid Openeye Name: 2-[2-(benzylamino)-2-oxo-ethyl]sulfanylpropanoic acid CAS Name: 2-[[2-oxo-2-[(phenylmethyl)amino]ethyl]thio]propanoic acid IUPAC Name: 2-[2-(benzylamino)-2-oxoethyl]sulfanylpropanoic acid Traditional Name: 2-[[2-(benzylamino)-2-keto-ethyl]thio]propionic acid Formula: C12H15NO3S MolecularWeight: 253.3174

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SCC(=O)NCC1=CC=CC=C1

Isomeric SMILES

CC(C(=O)O)SCC(=O)NCC1=CC=CC=C1

InChI

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