3-(2-quinoxalin-2-ylsulfanylethanoylamino)propanoate

Systemtic Name: 3-(2-quinoxalin-2-ylsulfanylethanoylamino)propanoate Openeye Name: 3-[(2-quinoxalin-2-ylsulfanylacetyl)amino]propanoate CAS Name: 3-[[1-oxo-2-(2-quinoxalinylthio)ethyl]amino]propanoate IUPAC Name: 3-[(2-quinoxalin-2-ylsulfanylacetyl)amino]propanoate Traditional Name: 3-[[2-(quinoxalin-2-ylthio)acetyl]amino]propionate Formula: C13H12N3O3S- MolecularWeight: 290.31768

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=CC(=N2)SCC(=O)NCCC(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=CC(=N2)SCC(=O)NCCC(=O)[O-]

InChI

InChI=1S/C13H13N3O3S/c17-11(14-6-5-13(18)19)8-20-12-7-15-9-3-1-2-4-10(9)16-12/h1-4,7H,5-6,8H2,(H,14,17)(H,18,19)/p-1