2-[[(E)-2-methylsulfonyl-3-phenyl-prop-2-enoxy]carbonylamino]ethanoic acid

Systemtic Name: 2-[[(E)-2-methylsulfonyl-3-phenyl-prop-2-enoxy]carbonylamino]ethanoic acid Openeye Name: 2-[[(E)-2-methylsulfonyl-3-phenyl-allyloxy]carbonylamino]acetic acid CAS Name: 2-[[[(E)-2-methylsulfonyl-3-phenylprop-2-enoxy]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[(E)-2-methylsulfonyl-3-phenylprop-2-enoxy]carbonylamino]acetic acid Traditional Name: 2-[[(E)-2-mesyl-3-phenyl-allyloxy]carbonylamino]acetic acid Formula: C13H15NO6S MolecularWeight: 313.3263

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C(=CC1=CC=CC=C1)COC(=O)NCC(=O)O

Isomeric SMILES

CS(=O)(=O)/C(=C/C1=CC=CC=C1)/COC(=O)NCC(=O)O

InChI

InChI=1S/C13H15NO6S/c1-21(18,19)11(7-10-5-3-2-4-6-10)9-20-13(17)14-8-12(15)16/h2-7H,8-9H2,1H3,(H,14,17)(H,15,16)/b11-7+