(4-oxidanylidene-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: (4-oxidanylidene-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanyl-butanoate Openeye Name: (4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) (2S)-2-(tert-butoxycarbonylamino)-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-(methylthio)butanoic acid (4-oxo-2,3-dihydro-1H-cyclopenta[c][1]benzopyran-7-yl) ester IUPAC Name: (4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-(tert-butoxycarbonylamino)-4-(methylthio)butyric acid (4-keto-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) ester Formula: C22H27NO6S MolecularWeight: 433.51788

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCSC)C(=O)OC1=CC2=C(C=C1)C3=C(CCC3)C(=O)O2

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CCSC)C(=O)OC1=CC2=C(C=C1)C3=C(CCC3)C(=O)O2

InChI

InChI=1S/C22H27NO6S/c1-22(2,3)29-21(26)23-17(10-11-30-4)20(25)27-13-8-9-15-14-6-5-7-16(14)19(24)28-18(15)12-13/h8-9,12,17H,5-7,10-11H2,1-4H3,(H,23,26)/t17-/m0/s1