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

Systemtic Name: 4-methylsulfanyl-2-(quinoxalin-2-ylcarbonylamino)butanoic acid Openeye Name: 4-methylsulfanyl-2-(quinoxaline-2-carbonylamino)butanoic acid CAS Name: 4-(methylthio)-2-[[oxo(2-quinoxalinyl)methyl]amino]butanoic acid IUPAC Name: 4-methylsulfanyl-2-(quinoxaline-2-carbonylamino)butanoic acid Traditional Name: 4-(methylthio)-2-(quinoxaline-2-carbonylamino)butyric acid Formula: C14H15N3O3S MolecularWeight: 305.3522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15N3O3S/c1-21-7-6-11(14(19)20)17-13(18)12-8-15-9-4-2-3-5-10(9)16-12/h2-5,8,11H,6-7H2,1H3,(H,17,18)(H,19,20)