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

Systemtic Name: (4-oxidanylidene-3-phenoxy-chromen-7-yl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanyl-butanoate Openeye Name: (4-oxo-3-phenoxy-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-1-benzopyran-7-yl) ester IUPAC Name: (4-oxo-3-phenoxychromen-7-yl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanylbutanoate Traditional Name: 2-(tert-butoxycarbonylamino)-4-(methylthio)butyric acid (4-keto-3-phenoxy-chromen-7-yl) ester Formula: C25H27NO7S MolecularWeight: 485.54938

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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=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C25H27NO7S/c1-25(2,3)33-24(29)26-19(12-13-34-4)23(28)32-17-10-11-18-20(14-17)30-15-21(22(18)27)31-16-8-6-5-7-9-16/h5-11,14-15,19H,12-13H2,1-4H3,(H,26,29)