3-[2-oxidanylidene-2-(phenethylamino)ethyl]sulfanylpropanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)CSCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)CSCCC(=O)O

InChI

InChI=1S/C13H17NO3S/c15-12(10-18-9-7-13(16)17)14-8-6-11-4-2-1-3-5-11/h1-5H,6-10H2,(H,14,15)(H,16,17)