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

Systemtic Name: [(2S)-1-[(4-chloranyl-2,5-dimethoxy-phenyl)amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]azanium Openeye Name: [(1S)-1-[(4-chloro-2,5-dimethoxy-phenyl)carbamoyl]-3-methylsulfanyl-propyl]ammonium CAS Name: [(2S)-1-(4-chloro-2,5-dimethoxyanilino)-4-(methylthio)-1-oxobutan-2-yl]ammonium IUPAC Name: [(2S)-1-(4-chloro-2,5-dimethoxyanilino)-4-methylsulfanyl-1-oxobutan-2-yl]azanium Traditional Name: [(1S)-1-[(4-chloro-2,5-dimethoxy-phenyl)carbamoyl]-3-(methylthio)propyl]ammonium Formula: C13H20ClN2O3S+ MolecularWeight: 319.8275

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=O)C(CCSC)[NH3+])OC)Cl

Isomeric SMILES

COC1=CC(=C(C=C1NC(=O)[C@H](CCSC)[NH3+])OC)Cl

InChI

InChI=1S/C13H19ClN2O3S/c1-18-11-7-10(12(19-2)6-8(11)14)16-13(17)9(15)4-5-20-3/h6-7,9H,4-5,15H2,1-3H3,(H,16,17)/p+1/t9-/m0/s1