methyl (2S)-4-methylsulfanyl-2-[2-(4-oxidanylidenecinnolin-1-yl)ethanoylamino]butanoate

Systemtic Name: methyl (2S)-4-methylsulfanyl-2-[2-(4-oxidanylidenecinnolin-1-yl)ethanoylamino]butanoate Openeye Name: methyl (2S)-4-methylsulfanyl-2-[[2-(4-oxocinnolin-1-yl)acetyl]amino]butanoate CAS Name: (2S)-4-(methylthio)-2-[[1-oxo-2-(4-oxo-1-cinnolinyl)ethyl]amino]butanoic acid methyl ester IUPAC Name: methyl (2S)-4-methylsulfanyl-2-[[2-(4-oxocinnolin-1-yl)acetyl]amino]butanoate Traditional Name: (2S)-2-[[2-(4-ketocinnolin-1-yl)acetyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C16H19N3O4S MolecularWeight: 349.40476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)CN1C2=CC=CC=C2C(=O)C=N1

Isomeric SMILES

COC(=O)[C@H](CCSC)NC(=O)CN1C2=CC=CC=C2C(=O)C=N1

InChI

InChI=1S/C16H19N3O4S/c1-23-16(22)12(7-8-24-2)18-15(21)10-19-13-6-4-3-5-11(13)14(20)9-17-19/h3-6,9,12H,7-8,10H2,1-2H3,(H,18,21)/t12-/m0/s1