3-[2-oxidanylidene-2-(1-phenylethylamino)ethyl]sulfanylpropanoic acid

Systemtic Name: 3-[2-oxidanylidene-2-(1-phenylethylamino)ethyl]sulfanylpropanoic acid Openeye Name: 3-[2-oxo-2-(1-phenylethylamino)ethyl]sulfanylpropanoic acid CAS Name: 3-[[2-oxo-2-(1-phenylethylamino)ethyl]thio]propanoic acid IUPAC Name: 3-[2-oxo-2-(1-phenylethylamino)ethyl]sulfanylpropanoic acid Traditional Name: 3-[[2-keto-2-(1-phenylethylamino)ethyl]thio]propionic acid Formula: C13H17NO3S MolecularWeight: 267.34398

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)CSCCC(=O)O

Isomeric SMILES

CC(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)