2-(quinoxalin-2-ylcarbonylamino)-3-sulfanyl-propanoic acid

Systemtic Name: 2-(quinoxalin-2-ylcarbonylamino)-3-sulfanyl-propanoic acid Openeye Name: 2-(quinoxaline-2-carbonylamino)-3-sulfanyl-propanoic acid CAS Name: 3-mercapto-2-[[oxo(2-quinoxalinyl)methyl]amino]propanoic acid IUPAC Name: 2-(quinoxaline-2-carbonylamino)-3-sulfanylpropanoic acid Traditional Name: 3-mercapto-2-(quinoxaline-2-carbonylamino)propionic acid Formula: C12H11N3O3S MolecularWeight: 277.29904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11N3O3S/c16-11(15-10(6-19)12(17)18)9-5-13-7-3-1-2-4-8(7)14-9/h1-5,10,19H,6H2,(H,15,16)(H,17,18)