2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[4-(methylsulfinylmethyl)-3-oxidanyl-phenyl]ethanoic acid

Systemtic Name: 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[4-(methylsulfinylmethyl)-3-oxidanyl-phenyl]ethanoic acid Openeye Name: 2-(tert-butoxycarbonylamino)-2-[3-hydroxy-4-(methylsulfinylmethyl)phenyl]acetic acid CAS Name: 2-[3-hydroxy-4-(methylsulfinylmethyl)phenyl]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]acetic acid IUPAC Name: 2-[3-hydroxy-4-(methylsulfinylmethyl)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid Traditional Name: 2-(tert-butoxycarbonylamino)-2-[3-hydroxy-4-(methylsulfinylmethyl)phenyl]acetic acid Formula: C15H21NO6S MolecularWeight: 343.39534

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(C1=CC(=C(C=C1)CS(=O)C)O)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC(C1=CC(=C(C=C1)CS(=O)C)O)C(=O)O

InChI

InChI=1S/C15H21NO6S/c1-15(2,3)22-14(20)16-12(13(18)19)9-5-6-10(8-23(4)21)11(17)7-9/h5-7,12,17H,8H2,1-4H3,(H,16,20)(H,18,19)