2-azanyl-3-[(3-oxidanylidene-4H-quinoxalin-2-yl)methylsulfanyl]propanoic acid

Systemtic Name: 2-azanyl-3-[(3-oxidanylidene-4H-quinoxalin-2-yl)methylsulfanyl]propanoic acid Openeye Name: 2-amino-3-[(3-oxo-4H-quinoxalin-2-yl)methylsulfanyl]propanoic acid CAS Name: 2-amino-3-[(3-oxo-4H-quinoxalin-2-yl)methylthio]propanoic acid IUPAC Name: 2-amino-3-[(3-oxo-4H-quinoxalin-2-yl)methylsulfanyl]propanoic acid Traditional Name: 2-amino-3-[(3-keto-4H-quinoxalin-2-yl)methylthio]propionic acid Formula: C12H13N3O3S MolecularWeight: 279.31492

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=O)C(=N2)CSCC(C(=O)O)N

Isomeric SMILES

C1=CC=C2C(=C1)NC(=O)C(=N2)CSCC(C(=O)O)N

InChI

InChI=1S/C12H13N3O3S/c13-7(12(17)18)5-19-6-10-11(16)15-9-4-2-1-3-8(9)14-10/h1-4,7H,5-6,13H2,(H,15,16)(H,17,18)