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

Systemtic Name: (2-oxidanylidene-4-phenyl-chromen-7-yl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanyl-butanoate Openeye Name: (2-oxo-4-phenyl-chromen-7-yl) (2S)-2-(tert-butoxycarbonylamino)-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-(methylthio)butanoic acid (2-oxo-4-phenyl-1-benzopyran-7-yl) ester IUPAC Name: (2-oxo-4-phenylchromen-7-yl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-(tert-butoxycarbonylamino)-4-(methylthio)butyric acid (2-keto-4-phenyl-chromen-7-yl) ester Formula: C25H27NO6S MolecularWeight: 469.54998

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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(=CC(=O)O2)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CCSC)C(=O)OC1=CC2=C(C=C1)C(=CC(=O)O2)C3=CC=CC=C3

InChI

InChI=1S/C25H27NO6S/c1-25(2,3)32-24(29)26-20(12-13-33-4)23(28)30-17-10-11-18-19(16-8-6-5-7-9-16)15-22(27)31-21(18)14-17/h5-11,14-15,20H,12-13H2,1-4H3,(H,26,29)/t20-/m0/s1