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

Systemtic Name: [3-(4-fluoranylphenoxy)-4-oxidanylidene-chromen-7-yl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanyl-butanoate Openeye Name: [3-(4-fluorophenoxy)-4-oxo-chromen-7-yl] 2-(tert-butoxycarbonylamino)-4-methylsulfanyl-butanoate CAS Name: 2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-(methylthio)butanoic acid [3-(4-fluorophenoxy)-4-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(4-fluorophenoxy)-4-oxochromen-7-yl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanylbutanoate Traditional Name: 2-(tert-butoxycarbonylamino)-4-(methylthio)butyric acid [3-(4-fluorophenoxy)-4-keto-chromen-7-yl] ester Formula: C25H26FNO7S MolecularWeight: 503.539843

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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(=CO2)OC3=CC=C(C=C3)F

Isomeric SMILES

CC(C)(C)OC(=O)NC(CCSC)C(=O)OC1=CC2=C(C=C1)C(=O)C(=CO2)OC3=CC=C(C=C3)F

InChI

InChI=1S/C25H26FNO7S/c1-25(2,3)34-24(30)27-19(11-12-35-4)23(29)33-17-9-10-18-20(13-17)31-14-21(22(18)28)32-16-7-5-15(26)6-8-16/h5-10,13-14,19H,11-12H2,1-4H3,(H,27,30)