[(2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]azanium

Systemtic Name: [(2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]azanium Openeye Name: [(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-3-methylsulfanyl-propyl]ammonium CAS Name: [(2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-4-(methylthio)-1-oxobutan-2-yl]ammonium IUPAC Name: [(2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-4-methylsulfanyl-1-oxobutan-2-yl]azanium Traditional Name: [(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-3-(methylthio)propyl]ammonium Formula: C13H19N2O3S+ MolecularWeight: 283.36656

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NC1=CC2=C(C=C1)OCCO2)[NH3+]

Isomeric SMILES

CSCC[C@@H](C(=O)NC1=CC2=C(C=C1)OCCO2)[NH3+]

InChI

InChI=1S/C13H18N2O3S/c1-19-7-4-10(14)13(16)15-9-2-3-11-12(8-9)18-6-5-17-11/h2-3,8,10H,4-7,14H2,1H3,(H,15,16)/p+1/t10-/m0/s1