[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-4-oxidanylidene-chromen-7-yl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-4-oxidanylidene-chromen-7-yl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanyl-butanoate Openeye Name: [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-4-oxo-chromen-7-yl] 2-(tert-butoxycarbonylamino)-4-methylsulfanyl-butanoate CAS Name: 2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-(methylthio)butanoic acid [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-4-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-4-oxochromen-7-yl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanylbutanoate Traditional Name: 2-(tert-butoxycarbonylamino)-4-(methylthio)butyric acid [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-keto-2-methyl-chromen-7-yl] ester Formula: C28H31NO8S MolecularWeight: 541.61264

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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)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC1=C(C(=O)C2=C(O1)C=C(C=C2)OC(=O)C(CCSC)NC(=O)OC(C)(C)C)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C28H31NO8S/c1-16-24(17-6-9-21-23(14-17)34-12-11-33-21)25(30)19-8-7-18(15-22(19)35-16)36-26(31)20(10-13-38-5)29-27(32)37-28(2,3)4/h6-9,14-15,20H,10-13H2,1-5H3,(H,29,32)