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

Systemtic Name: [(2S)-1-[(2-methoxy-5-methyl-phenyl)amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]azanium Openeye Name: [(1S)-1-[(2-methoxy-5-methyl-phenyl)carbamoyl]-3-methylsulfanyl-propyl]ammonium CAS Name: [(2S)-1-(2-methoxy-5-methylanilino)-4-(methylthio)-1-oxobutan-2-yl]ammonium IUPAC Name: [(2S)-1-(2-methoxy-5-methylanilino)-4-methylsulfanyl-1-oxobutan-2-yl]azanium Traditional Name: [(1S)-1-[(2-methoxy-5-methyl-phenyl)carbamoyl]-3-(methylthio)propyl]ammonium Formula: C13H21N2O2S+ MolecularWeight: 269.38304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=O)C(CCSC)[NH3+]

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)[C@H](CCSC)[NH3+]

InChI

InChI=1S/C13H20N2O2S/c1-9-4-5-12(17-2)11(8-9)15-13(16)10(14)6-7-18-3/h4-5,8,10H,6-7,14H2,1-3H3,(H,15,16)/p+1/t10-/m0/s1