[(2S)-1-[2-[(3-methoxy-4-oxidanyl-phenyl)carbonylamino]ethoxy]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]azanium

Systemtic Name: [(2S)-1-[2-[(3-methoxy-4-oxidanyl-phenyl)carbonylamino]ethoxy]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]azanium Openeye Name: [(1S)-1-[2-[(4-hydroxy-3-methoxy-benzoyl)amino]ethoxycarbonyl]-3-methylsulfanyl-propyl]ammonium CAS Name: [(2S)-1-[2-[[(4-hydroxy-3-methoxyphenyl)-oxomethyl]amino]ethoxy]-4-(methylthio)-1-oxobutan-2-yl]ammonium IUPAC Name: [(2S)-1-[2-[(4-hydroxy-3-methoxybenzoyl)amino]ethoxy]-4-methylsulfanyl-1-oxobutan-2-yl]azanium Traditional Name: [(1S)-3-(methylthio)-1-[2-(vanilloylamino)ethoxycarbonyl]propyl]ammonium Formula: C15H23N2O5S+ MolecularWeight: 343.41852

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)NCCOC(=O)C(CCSC)[NH3+])O

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)NCCOC(=O)[C@H](CCSC)[NH3+])O

InChI

InChI=1S/C15H22N2O5S/c1-21-13-9-10(3-4-12(13)18)14(19)17-6-7-22-15(20)11(16)5-8-23-2/h3-4,9,11,18H,5-8,16H2,1-2H3,(H,17,19)/p+1/t11-/m0/s1