2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(trifluoromethyl)phenyl]sulfanylethanoic acid

Systemtic Name: 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(trifluoromethyl)phenyl]sulfanylethanoic acid Openeye Name: 2-[2-(tert-butoxycarbonylamino)-5-(trifluoromethyl)phenyl]sulfanylacetic acid CAS Name: 2-[[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-5-(trifluoromethyl)phenyl]thio]acetic acid IUPAC Name: 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(trifluoromethyl)phenyl]sulfanylacetic acid Traditional Name: 2-[[2-(tert-butoxycarbonylamino)-5-(trifluoromethyl)phenyl]thio]acetic acid Formula: C14H16F3NO4S MolecularWeight: 351.34135

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=C(C=C(C=C1)C(F)(F)F)SCC(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC1=C(C=C(C=C1)C(F)(F)F)SCC(=O)O

InChI

InChI=1S/C14H16F3NO4S/c1-13(2,3)22-12(21)18-9-5-4-8(14(15,16)17)6-10(9)23-7-11(19)20/h4-6H,7H2,1-3H3,(H,18,21)(H,19,20)