3-[2-oxidanylidene-2-[[(1S)-1-phenylethyl]amino]ethyl]sulfanylpropanoate

Systemtic Name: 3-[2-oxidanylidene-2-[[(1S)-1-phenylethyl]amino]ethyl]sulfanylpropanoate Openeye Name: 3-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]sulfanylpropanoate CAS Name: 3-[[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]thio]propanoate IUPAC Name: 3-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]sulfanylpropanoate Traditional Name: 3-[[2-keto-2-[[(1S)-1-phenylethyl]amino]ethyl]thio]propionate Formula: C13H16NO3S- MolecularWeight: 266.33604

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)CSCCC(=O)[O-]

Isomeric SMILES

C[C@@H](C1=CC=CC=C1)NC(=O)CSCCC(=O)[O-]

InChI

InChI=1S/C13H17NO3S/c1-10(11-5-3-2-4-6-11)14-12(15)9-18-8-7-13(16)17/h2-6,10H,7-9H2,1H3,(H,14,15)(H,16,17)/p-1/t10-/m0/s1