[4-oxidanylidene-3-phenoxy-2-(trifluoromethyl)chromen-7-yl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: [4-oxidanylidene-3-phenoxy-2-(trifluoromethyl)chromen-7-yl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanyl-butanoate Openeye Name: [4-oxo-3-phenoxy-2-(trifluoromethyl)chromen-7-yl] 2-(tert-butoxycarbonylamino)-4-methylsulfanyl-butanoate CAS Name: 2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-(methylthio)butanoic acid [4-oxo-3-phenoxy-2-(trifluoromethyl)-1-benzopyran-7-yl] ester IUPAC Name: [4-oxo-3-phenoxy-2-(trifluoromethyl)chromen-7-yl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanylbutanoate Traditional Name: 2-(tert-butoxycarbonylamino)-4-(methylthio)butyric acid [4-keto-3-phenoxy-2-(trifluoromethyl)chromen-7-yl] ester Formula: C26H26F3NO7S MolecularWeight: 553.54735

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCSC)C(=O)OC1=CC2=C(C=C1)C(=O)C(=C(O2)C(F)(F)F)OC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)NC(CCSC)C(=O)OC1=CC2=C(C=C1)C(=O)C(=C(O2)C(F)(F)F)OC3=CC=CC=C3

InChI

InChI=1S/C26H26F3NO7S/c1-25(2,3)37-24(33)30-18(12-13-38-4)23(32)35-16-10-11-17-19(14-16)36-22(26(27,28)29)21(20(17)31)34-15-8-6-5-7-9-15/h5-11,14,18H,12-13H2,1-4H3,(H,30,33)