4-ethylsulfanyl-2-(quinoxalin-2-ylcarbonylamino)butanoic acid

Systemtic Name: 4-ethylsulfanyl-2-(quinoxalin-2-ylcarbonylamino)butanoic acid Openeye Name: 4-ethylsulfanyl-2-(quinoxaline-2-carbonylamino)butanoic acid CAS Name: 4-(ethylthio)-2-[[oxo(2-quinoxalinyl)methyl]amino]butanoic acid IUPAC Name: 4-ethylsulfanyl-2-(quinoxaline-2-carbonylamino)butanoic acid Traditional Name: 4-(ethylthio)-2-(quinoxaline-2-carbonylamino)butyric acid Formula: C15H17N3O3S MolecularWeight: 319.37878

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Descriptors Computed from Structure

Canonical SMILES:

CCSCCC(C(=O)O)NC(=O)C1=NC2=CC=CC=C2N=C1

Isomeric SMILES

CCSCCC(C(=O)O)NC(=O)C1=NC2=CC=CC=C2N=C1

InChI

InChI=1S/C15H17N3O3S/c1-2-22-8-7-12(15(20)21)18-14(19)13-9-16-10-5-3-4-6-11(10)17-13/h3-6,9,12H,2,7-8H2,1H3,(H,18,19)(H,20,21)