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

Systemtic Name: [(2S)-1-[(4-ethoxycarbonylphenyl)amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]azanium Openeye Name: [(1S)-1-[(4-ethoxycarbonylphenyl)carbamoyl]-3-methylsulfanyl-propyl]ammonium CAS Name: [(2S)-1-(4-ethoxycarbonylanilino)-4-(methylthio)-1-oxobutan-2-yl]ammonium IUPAC Name: [(2S)-1-(4-ethoxycarbonylanilino)-4-methylsulfanyl-1-oxobutan-2-yl]azanium Traditional Name: [(1S)-1-[(4-carbethoxyphenyl)carbamoyl]-3-(methylthio)propyl]ammonium Formula: C14H21N2O3S+ MolecularWeight: 297.39314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2O3S/c1-3-19-14(18)10-4-6-11(7-5-10)16-13(17)12(15)8-9-20-2/h4-7,12H,3,8-9,15H2,1-2H3,(H,16,17)/p+1/t12-/m0/s1