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

Systemtic Name: [(2S)-1-[2-[(3-methoxy-4-oxidanyl-phenyl)carbonyl-oxidanyl-amino]ethoxy]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]azanium Openeye Name: [(1S)-1-[2-[hydroxy-(4-hydroxy-3-methoxy-benzoyl)amino]ethoxycarbonyl]-3-methylsulfanyl-propyl]ammonium CAS Name: [(2S)-1-[2-[hydroxy-[(4-hydroxy-3-methoxyphenyl)-oxomethyl]amino]ethoxy]-4-(methylthio)-1-oxobutan-2-yl]ammonium IUPAC Name: [(2S)-1-[2-[hydroxy-(4-hydroxy-3-methoxybenzoyl)amino]ethoxy]-4-methylsulfanyl-1-oxobutan-2-yl]azanium Traditional Name: [(1S)-1-[2-[hydroxy(vanilloyl)amino]ethoxycarbonyl]-3-(methylthio)propyl]ammonium Formula: C15H23N2O6S+ MolecularWeight: 359.41792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N2O6S/c1-22-13-9-10(3-4-12(13)18)14(19)17(21)6-7-23-15(20)11(16)5-8-24-2/h3-4,9,11,18,21H,5-8,16H2,1-2H3/p+1/t11-/m0/s1