(2-methyl-4-oxidanylidene-3-phenoxy-chromen-7-yl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: (2-methyl-4-oxidanylidene-3-phenoxy-chromen-7-yl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanyl-butanoate Openeye Name: (2-methyl-4-oxo-3-phenoxy-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 (2-methyl-4-oxo-3-phenoxy-1-benzopyran-7-yl) ester IUPAC Name: (2-methyl-4-oxo-3-phenoxychromen-7-yl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-(tert-butoxycarbonylamino)-4-(methylthio)butyric acid (4-keto-2-methyl-3-phenoxy-chromen-7-yl) ester Formula: C26H29NO7S MolecularWeight: 499.57596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(O1)C=C(C=C2)OC(=O)C(CCSC)NC(=O)OC(C)(C)C)OC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=O)C2=C(O1)C=C(C=C2)OC(=O)[C@H](CCSC)NC(=O)OC(C)(C)C)OC3=CC=CC=C3

InChI

InChI=1S/C26H29NO7S/c1-16-23(32-17-9-7-6-8-10-17)22(28)19-12-11-18(15-21(19)31-16)33-24(29)20(13-14-35-5)27-25(30)34-26(2,3)4/h6-12,15,20H,13-14H2,1-5H3,(H,27,30)/t20-/m0/s1