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

Systemtic Name: (6-chloranyl-3,4-dimethyl-2-oxidanylidene-chromen-7-yl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanyl-butanoate Openeye Name: (6-chloro-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 (6-chloro-3,4-dimethyl-2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (6-chloro-3,4-dimethyl-2-oxochromen-7-yl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanylbutanoate Traditional Name: 2-(tert-butoxycarbonylamino)-4-(methylthio)butyric acid (6-chloro-2-keto-3,4-dimethyl-chromen-7-yl) ester Formula: C21H26ClNO6S MolecularWeight: 455.95224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=CC(=C(C=C12)Cl)OC(=O)C(CCSC)NC(=O)OC(C)(C)C)C

Isomeric SMILES

CC1=C(C(=O)OC2=CC(=C(C=C12)Cl)OC(=O)C(CCSC)NC(=O)OC(C)(C)C)C

InChI

InChI=1S/C21H26ClNO6S/c1-11-12(2)18(24)27-16-10-17(14(22)9-13(11)16)28-19(25)15(7-8-30-6)23-20(26)29-21(3,4)5/h9-10,15H,7-8H2,1-6H3,(H,23,26)