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

Systemtic Name: (6-chloranyl-2-oxidanylidene-4-propyl-chromen-7-yl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanyl-butanoate Openeye Name: (6-chloro-2-oxo-4-propyl-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-propyl-1-benzopyran-7-yl) ester IUPAC Name: (6-chloro-2-oxo-4-propylchromen-7-yl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanylbutanoate Traditional Name: 2-(tert-butoxycarbonylamino)-4-(methylthio)butyric acid (6-chloro-2-keto-4-propyl-chromen-7-yl) ester Formula: C22H28ClNO6S MolecularWeight: 469.97882

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)OC2=CC(=C(C=C12)Cl)OC(=O)C(CCSC)NC(=O)OC(C)(C)C

Isomeric SMILES

CCCC1=CC(=O)OC2=CC(=C(C=C12)Cl)OC(=O)C(CCSC)NC(=O)OC(C)(C)C

InChI

InChI=1S/C22H28ClNO6S/c1-6-7-13-10-19(25)28-17-12-18(15(23)11-14(13)17)29-20(26)16(8-9-31-5)24-21(27)30-22(2,3)4/h10-12,16H,6-9H2,1-5H3,(H,24,27)