methyl 4-methylsulfanyl-2-[2-(4-oxidanylidene-2H-pyridazino[4,5-b]indol-3-yl)ethanoylamino]butanoate

Systemtic Name: methyl 4-methylsulfanyl-2-[2-(4-oxidanylidene-2H-pyridazino[4,5-b]indol-3-yl)ethanoylamino]butanoate Openeye Name: methyl 4-methylsulfanyl-2-[[2-(4-oxo-2H-pyridazino[4,5-b]indol-3-yl)acetyl]amino]butanoate CAS Name: 4-(methylthio)-2-[[1-oxo-2-(4-oxo-2H-pyridazino[4,5-b]indol-3-yl)ethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-methylsulfanyl-2-[[2-(4-oxo-2H-pyridazino[4,5-b]indol-3-yl)acetyl]amino]butanoate Traditional Name: 2-[[2-(4-keto-2H-pyridazin[4,5-b]indol-3-yl)acetyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C18H20N4O4S MolecularWeight: 388.4408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)CN1C(=O)C2=NC3=CC=CC=C3C2=CN1

Isomeric SMILES

COC(=O)C(CCSC)NC(=O)CN1C(=O)C2=NC3=CC=CC=C3C2=CN1

InChI

InChI=1S/C18H20N4O4S/c1-26-18(25)14(7-8-27-2)20-15(23)10-22-17(24)16-12(9-19-22)11-5-3-4-6-13(11)21-16/h3-6,9,14,19H,7-8,10H2,1-2H3,(H,20,23)