[2,5-bis(oxidanylidene)pyrrol-1-yl] [3,5-dimethoxy-4-[[5-(2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]methyl]phenyl]methyl carbonate

Systemtic Name: [2,5-bis(oxidanylidene)pyrrol-1-yl] [3,5-dimethoxy-4-[[5-(2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]methyl]phenyl]methyl carbonate Openeye Name: [3,5-dimethoxy-4-[[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]methyl]phenyl]methyl (2,5-dioxopyrrol-1-yl) carbonate CAS Name: carbonic acid [3,5-dimethoxy-4-[[[1-oxo-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentyl]amino]methyl]phenyl]methyl (2,5-dioxo-1-pyrrolyl) ester IUPAC Name: [3,5-dimethoxy-4-[[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]methyl]phenyl]methyl (2,5-dioxopyrrol-1-yl) carbonate Traditional Name: carbonic acid [4-[[5-(2-keto-1,3,3a,4,6,6a-hexahydrothien[3,4-d]imidazol-4-yl)pentanoylamino]methyl]-3,5-dimethoxy-benzyl] maleimido ester Formula: C25H30N4O9S MolecularWeight: 562.5921

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1CNC(=O)CCCCC2C3C(CS2)NC(=O)N3)OC)COC(=O)ON4C(=O)C=CC4=O

Isomeric SMILES

COC1=CC(=CC(=C1CNC(=O)CCCCC2C3C(CS2)NC(=O)N3)OC)COC(=O)ON4C(=O)C=CC4=O

InChI

InChI=1S/C25H30N4O9S/c1-35-17-9-14(12-37-25(34)38-29-21(31)7-8-22(29)32)10-18(36-2)15(17)11-26-20(30)6-4-3-5-19-23-16(13-39-19)27-24(33)28-23/h7-10,16,19,23H,3-6,11-13H2,1-2H3,(H,26,30)(H2,27,28,33)