(2-oxidanylidenechromen-7-yl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: (2-oxidanylidenechromen-7-yl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanyl-butanoate Openeye Name: (2-oxochromen-7-yl) 2-(tert-butoxycarbonylamino)-4-methylsulfanyl-butanoate CAS Name: 2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-(methylthio)butanoic acid (2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (2-oxochromen-7-yl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanylbutanoate Traditional Name: 2-(tert-butoxycarbonylamino)-4-(methylthio)butyric acid (2-ketochromen-7-yl) ester Formula: C19H23NO6S MolecularWeight: 393.45402

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCSC)C(=O)OC1=CC2=C(C=C1)C=CC(=O)O2

Isomeric SMILES

CC(C)(C)OC(=O)NC(CCSC)C(=O)OC1=CC2=C(C=C1)C=CC(=O)O2

InChI

InChI=1S/C19H23NO6S/c1-19(2,3)26-18(23)20-14(9-10-27-4)17(22)24-13-7-5-12-6-8-16(21)25-15(12)11-13/h5-8,11,14H,9-10H2,1-4H3,(H,20,23)