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

Systemtic Name: (4,7-dimethyl-2-oxidanylidene-chromen-5-yl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanyl-butanoate Openeye Name: (4,7-dimethyl-2-oxo-chromen-5-yl) 2-(tert-butoxycarbonylamino)-4-methylsulfanyl-butanoate CAS Name: 2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-(methylthio)butanoic acid (4,7-dimethyl-2-oxo-1-benzopyran-5-yl) ester IUPAC Name: (4,7-dimethyl-2-oxochromen-5-yl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanylbutanoate Traditional Name: 2-(tert-butoxycarbonylamino)-4-(methylthio)butyric acid (2-keto-4,7-dimethyl-chromen-5-yl) ester Formula: C21H27NO6S MolecularWeight: 421.50718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=CC(=O)O2)C)C(=C1)OC(=O)C(CCSC)NC(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC2=C(C(=CC(=O)O2)C)C(=C1)OC(=O)C(CCSC)NC(=O)OC(C)(C)C

InChI

InChI=1S/C21H27NO6S/c1-12-9-15-18(13(2)11-17(23)26-15)16(10-12)27-19(24)14(7-8-29-6)22-20(25)28-21(3,4)5/h9-11,14H,7-8H2,1-6H3,(H,22,25)