methyl 4-methylsulfanyl-2-[2-(quinoxalin-2-ylcarbonylamino)propanoylamino]butanoate

Systemtic Name: methyl 4-methylsulfanyl-2-[2-(quinoxalin-2-ylcarbonylamino)propanoylamino]butanoate Openeye Name: methyl 4-methylsulfanyl-2-[2-(quinoxaline-2-carbonylamino)propanoylamino]butanoate CAS Name: 4-(methylthio)-2-[[1-oxo-2-[[oxo(2-quinoxalinyl)methyl]amino]propyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-methylsulfanyl-2-[2-(quinoxaline-2-carbonylamino)propanoylamino]butanoate Traditional Name: 4-(methylthio)-2-[2-(quinoxaline-2-carbonylamino)propanoylamino]butyric acid methyl ester Formula: C18H22N4O4S MolecularWeight: 390.45668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CCSC)C(=O)OC)NC(=O)C1=NC2=CC=CC=C2N=C1

Isomeric SMILES

CC(C(=O)NC(CCSC)C(=O)OC)NC(=O)C1=NC2=CC=CC=C2N=C1

InChI

InChI=1S/C18H22N4O4S/c1-11(16(23)22-14(8-9-27-3)18(25)26-2)20-17(24)15-10-19-12-6-4-5-7-13(12)21-15/h4-7,10-11,14H,8-9H2,1-3H3,(H,20,24)(H,22,23)