[(2S)-1-[(3-ethanoylphenyl)amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]azanium

Systemtic Name: [(2S)-1-[(3-ethanoylphenyl)amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]azanium Openeye Name: [(1S)-1-[(3-acetylphenyl)carbamoyl]-3-methylsulfanyl-propyl]ammonium CAS Name: [(2S)-1-(3-acetylanilino)-4-(methylthio)-1-oxobutan-2-yl]ammonium IUPAC Name: [(2S)-1-(3-acetylanilino)-4-methylsulfanyl-1-oxobutan-2-yl]azanium Traditional Name: [(1S)-1-[(3-acetylphenyl)carbamoyl]-3-(methylthio)propyl]ammonium Formula: C13H19N2O2S+ MolecularWeight: 267.36716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2O2S/c1-9(16)10-4-3-5-11(8-10)15-13(17)12(14)6-7-18-2/h3-5,8,12H,6-7,14H2,1-2H3,(H,15,17)/p+1/t12-/m0/s1