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

Systemtic Name: (3,4-dimethyl-2-oxidanylidene-chromen-7-yl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanyl-butanoate Openeye Name: (3,4-dimethyl-2-oxo-chromen-7-yl) 2-(tert-butoxycarbonylamino)-4-methylsulfanyl-butanoate CAS Name: 2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-(methylthio)butanoic acid (3,4-dimethyl-2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (3,4-dimethyl-2-oxochromen-7-yl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanylbutanoate Traditional Name: 2-(tert-butoxycarbonylamino)-4-(methylthio)butyric acid (2-keto-3,4-dimethyl-chromen-7-yl) ester Formula: C21H27NO6S MolecularWeight: 421.50718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)OC(=O)C(CCSC)NC(=O)OC(C)(C)C)C

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)OC(=O)C(CCSC)NC(=O)OC(C)(C)C)C

InChI

InChI=1S/C21H27NO6S/c1-12-13(2)18(23)27-17-11-14(7-8-15(12)17)26-19(24)16(9-10-29-6)22-20(25)28-21(3,4)5/h7-8,11,16H,9-10H2,1-6H3,(H,22,25)