3-[[3-(1-methylsulfonylpropan-2-yl)imidazol-4-yl]methoxycarbonylsulfanyl]propanoic acid

Systemtic Name: 3-[[3-(1-methylsulfonylpropan-2-yl)imidazol-4-yl]methoxycarbonylsulfanyl]propanoic acid Openeye Name: 3-[[3-(1-methyl-2-methylsulfonyl-ethyl)imidazol-4-yl]methoxycarbonylsulfanyl]propanoic acid CAS Name: 3-[[[3-(1-methylsulfonylpropan-2-yl)-4-imidazolyl]methoxy-oxomethyl]thio]propanoic acid IUPAC Name: 3-[[3-(1-methylsulfonylpropan-2-yl)imidazol-4-yl]methoxycarbonylsulfanyl]propanoic acid Traditional Name: 3-[[3-(2-mesyl-1-methyl-ethyl)imidazol-4-yl]methoxycarbonylthio]propionic acid Formula: C12H18N2O6S2 MolecularWeight: 350.41112

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Descriptors Computed from Structure

Canonical SMILES:

CC(CS(=O)(=O)C)N1C=NC=C1COC(=O)SCCC(=O)O

Isomeric SMILES

CC(CS(=O)(=O)C)N1C=NC=C1COC(=O)SCCC(=O)O

InChI

InChI=1S/C12H18N2O6S2/c1-9(7-22(2,18)19)14-8-13-5-10(14)6-20-12(17)21-4-3-11(15)16/h5,8-9H,3-4,6-7H2,1-2H3,(H,15,16)