sulfanyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(trifluoromethyl)phenyl]ethanoate

Systemtic Name: sulfanyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(trifluoromethyl)phenyl]ethanoate Openeye Name: sulfanyl 2-[2-(tert-butoxycarbonylamino)-5-(trifluoromethyl)phenyl]acetate CAS Name: 2-[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-5-(trifluoromethyl)phenyl]acetic acid mercapto ester IUPAC Name: sulfanyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(trifluoromethyl)phenyl]acetate Traditional Name: 2-[2-(tert-butoxycarbonylamino)-5-(trifluoromethyl)phenyl]acetic acid mercapto ester 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)CC(=O)OS

Isomeric SMILES

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

InChI

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