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

Systemtic Name: [(2S)-1-[(4-ethoxyphenyl)amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]azanium Openeye Name: [(1S)-1-[(4-ethoxyphenyl)carbamoyl]-3-methylsulfanyl-propyl]ammonium CAS Name: [(2S)-1-(4-ethoxyanilino)-4-(methylthio)-1-oxobutan-2-yl]ammonium IUPAC Name: [(2S)-1-(4-ethoxyanilino)-4-methylsulfanyl-1-oxobutan-2-yl]azanium Traditional Name: [(1S)-3-(methylthio)-1-(p-phenetylcarbamoyl)propyl]ammonium Formula: C13H21N2O2S+ MolecularWeight: 269.38304

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C(CCSC)[NH3+]

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)[C@H](CCSC)[NH3+]

InChI

InChI=1S/C13H20N2O2S/c1-3-17-11-6-4-10(5-7-11)15-13(16)12(14)8-9-18-2/h4-7,12H,3,8-9,14H2,1-2H3,(H,15,16)/p+1/t12-/m0/s1