[4,7-dimethyl-2-oxidanylidene-3-(phenylmethyl)chromen-5-yl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: [4,7-dimethyl-2-oxidanylidene-3-(phenylmethyl)chromen-5-yl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanyl-butanoate Openeye Name: (3-benzyl-4,7-dimethyl-2-oxo-chromen-5-yl) 2-(tert-butoxycarbonylamino)-4-methylsulfanyl-butanoate CAS Name: 2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-(methylthio)butanoic acid [4,7-dimethyl-2-oxo-3-(phenylmethyl)-1-benzopyran-5-yl] ester IUPAC Name: (3-benzyl-4,7-dimethyl-2-oxochromen-5-yl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanylbutanoate Traditional Name: 2-(tert-butoxycarbonylamino)-4-(methylthio)butyric acid (3-benzyl-2-keto-4,7-dimethyl-chromen-5-yl) ester Formula: C28H33NO6S MolecularWeight: 511.62972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C(C(=O)O2)CC3=CC=CC=C3)C)C(=C1)OC(=O)C(CCSC)NC(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC2=C(C(=C(C(=O)O2)CC3=CC=CC=C3)C)C(=C1)OC(=O)C(CCSC)NC(=O)OC(C)(C)C

InChI

InChI=1S/C28H33NO6S/c1-17-14-22-24(18(2)20(25(30)33-22)16-19-10-8-7-9-11-19)23(15-17)34-26(31)21(12-13-36-6)29-27(32)35-28(3,4)5/h7-11,14-15,21H,12-13,16H2,1-6H3,(H,29,32)