3-[2-(3-phenylquinoxalin-2-yl)sulfanylethanoylamino]propanoic acid

Systemtic Name: 3-[2-(3-phenylquinoxalin-2-yl)sulfanylethanoylamino]propanoic acid Openeye Name: 3-[[2-(3-phenylquinoxalin-2-yl)sulfanylacetyl]amino]propanoic acid CAS Name: 3-[[1-oxo-2-[(3-phenyl-2-quinoxalinyl)thio]ethyl]amino]propanoic acid IUPAC Name: 3-[[2-(3-phenylquinoxalin-2-yl)sulfanylacetyl]amino]propanoic acid Traditional Name: 3-[[2-[(3-phenylquinoxalin-2-yl)thio]acetyl]amino]propionic acid Formula: C19H17N3O3S MolecularWeight: 367.42158

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC3=CC=CC=C3N=C2SCC(=O)NCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=NC3=CC=CC=C3N=C2SCC(=O)NCCC(=O)O

InChI

InChI=1S/C19H17N3O3S/c23-16(20-11-10-17(24)25)12-26-19-18(13-6-2-1-3-7-13)21-14-8-4-5-9-15(14)22-19/h1-9H,10-12H2,(H,20,23)(H,24,25)