[2-[[1,1-bis(oxidanylidene)thiolan-3-yl]-ethyl-amino]-2-oxidanylidene-ethyl] 3-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-4,5-dimethoxy-benzoate

Systemtic Name: [2-[[1,1-bis(oxidanylidene)thiolan-3-yl]-ethyl-amino]-2-oxidanylidene-ethyl] 3-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-4,5-dimethoxy-benzoate Openeye Name: [2-[(1,1-dioxothiolan-3-yl)-ethyl-amino]-2-oxo-ethyl] 3-[(1,3-dioxoisoindolin-2-yl)methyl]-4,5-dimethoxy-benzoate CAS Name: 3-[(1,3-dioxo-2-isoindolyl)methyl]-4,5-dimethoxybenzoic acid [2-[(1,1-dioxo-3-thiolanyl)-ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-oxoethyl] 3-[(1,3-dioxoisoindol-2-yl)methyl]-4,5-dimethoxybenzoate Traditional Name: 3,4-dimethoxy-5-(phthalimidomethyl)benzoic acid [2-[(1,1-diketothiolan-3-yl)-ethyl-amino]-2-keto-ethyl] ester Formula: C26H28N2O9S MolecularWeight: 544.57352

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=CC(=C(C(=C2)OC)OC)CN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CCN(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=CC(=C(C(=C2)OC)OC)CN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C26H28N2O9S/c1-4-27(18-9-10-38(33,34)15-18)22(29)14-37-26(32)16-11-17(23(36-3)21(12-16)35-2)13-28-24(30)19-7-5-6-8-20(19)25(28)31/h5-8,11-12,18H,4,9-10,13-15H2,1-3H3