[(2S)-1-[(2-chloranyl-5-methoxycarbonyl-phenyl)amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]azanium

Systemtic Name: [(2S)-1-[(2-chloranyl-5-methoxycarbonyl-phenyl)amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]azanium Openeye Name: [(1S)-1-[(2-chloro-5-methoxycarbonyl-phenyl)carbamoyl]-3-methylsulfanyl-propyl]ammonium CAS Name: [(2S)-1-(2-chloro-5-methoxycarbonylanilino)-4-(methylthio)-1-oxobutan-2-yl]ammonium IUPAC Name: [(2S)-1-(2-chloro-5-methoxycarbonylanilino)-4-methylsulfanyl-1-oxobutan-2-yl]azanium Traditional Name: [(1S)-1-[(5-carbomethoxy-2-chloro-phenyl)carbamoyl]-3-(methylthio)propyl]ammonium Formula: C13H18ClN2O3S+ MolecularWeight: 317.81162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C(CCSC)[NH3+]

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)Cl)NC(=O)[C@H](CCSC)[NH3+]

InChI

InChI=1S/C13H17ClN2O3S/c1-19-13(18)8-3-4-9(14)11(7-8)16-12(17)10(15)5-6-20-2/h3-4,7,10H,5-6,15H2,1-2H3,(H,16,17)/p+1/t10-/m0/s1