3-[2-(3-phenylquinoxalin-2-yl)sulfanylethanoylamino]propanoate

Systemtic Name: 3-[2-(3-phenylquinoxalin-2-yl)sulfanylethanoylamino]propanoate Openeye Name: 3-[[2-(3-phenylquinoxalin-2-yl)sulfanylacetyl]amino]propanoate CAS Name: 3-[[1-oxo-2-[(3-phenyl-2-quinoxalinyl)thio]ethyl]amino]propanoate IUPAC Name: 3-[[2-(3-phenylquinoxalin-2-yl)sulfanylacetyl]amino]propanoate Traditional Name: 3-[[2-[(3-phenylquinoxalin-2-yl)thio]acetyl]amino]propionate Formula: C19H16N3O3S- MolecularWeight: 366.41364

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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)/p-1