(5-oxidanyl-4-oxidanylidene-2-phenyl-chromen-7-yl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: (5-oxidanyl-4-oxidanylidene-2-phenyl-chromen-7-yl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanyl-butanoate Openeye Name: (5-hydroxy-4-oxo-2-phenyl-chromen-7-yl) 2-(tert-butoxycarbonylamino)-4-methylsulfanyl-butanoate CAS Name: 2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-(methylthio)butanoic acid (5-hydroxy-4-oxo-2-phenyl-1-benzopyran-7-yl) ester IUPAC Name: (5-hydroxy-4-oxo-2-phenylchromen-7-yl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanylbutanoate Traditional Name: 2-(tert-butoxycarbonylamino)-4-(methylthio)butyric acid (5-hydroxy-4-keto-2-phenyl-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=CC(=C2C(=C1)OC(=CC2=O)C3=CC=CC=C3)O

Isomeric SMILES

CC(C)(C)OC(=O)NC(CCSC)C(=O)OC1=CC(=C2C(=C1)OC(=CC2=O)C3=CC=CC=C3)O

InChI

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