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

Systemtic Name: (6-chloranyl-2-oxidanylidene-4-phenyl-chromen-7-yl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanyl-butanoate Openeye Name: (6-chloro-2-oxo-4-phenyl-chromen-7-yl) 2-(tert-butoxycarbonylamino)-4-methylsulfanyl-butanoate CAS Name: 2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-(methylthio)butanoic acid (6-chloro-2-oxo-4-phenyl-1-benzopyran-7-yl) ester IUPAC Name: (6-chloro-2-oxo-4-phenylchromen-7-yl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanylbutanoate Traditional Name: 2-(tert-butoxycarbonylamino)-4-(methylthio)butyric acid (6-chloro-2-keto-4-phenyl-chromen-7-yl) ester Formula: C25H26ClNO6S MolecularWeight: 503.99504

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCSC)C(=O)OC1=C(C=C2C(=CC(=O)OC2=C1)C3=CC=CC=C3)Cl

Isomeric SMILES

CC(C)(C)OC(=O)NC(CCSC)C(=O)OC1=C(C=C2C(=CC(=O)OC2=C1)C3=CC=CC=C3)Cl

InChI

InChI=1S/C25H26ClNO6S/c1-25(2,3)33-24(30)27-19(10-11-34-4)23(29)32-21-14-20-17(12-18(21)26)16(13-22(28)31-20)15-8-6-5-7-9-15/h5-9,12-14,19H,10-11H2,1-4H3,(H,27,30)