bis[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl] (E)-but-2-enedioate

Systemtic Name: bis[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl] (E)-but-2-enedioate Openeye Name: bis[[2-(2-pyridyl)thiazol-4-yl]methyl] (E)-but-2-enedioate CAS Name: (E)-2-butenedioic acid bis[[2-(2-pyridinyl)-4-thiazolyl]methyl] ester IUPAC Name: bis[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl] (E)-but-2-enedioate Traditional Name: (E)-but-2-enedioic acid bis[[2-(2-pyridyl)thiazol-4-yl]methyl] ester Formula: C22H16N4O4S2 MolecularWeight: 464.51684

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)C2=NC(=CS2)COC(=O)C=CC(=O)OCC3=CSC(=N3)C4=CC=CC=N4

Isomeric SMILES

C1=CC=NC(=C1)C2=NC(=CS2)COC(=O)/C=C/C(=O)OCC3=CSC(=N3)C4=CC=CC=N4

InChI

InChI=1S/C22H16N4O4S2/c27-19(29-11-15-13-31-21(25-15)17-5-1-3-9-23-17)7-8-20(28)30-12-16-14-32-22(26-16)18-6-2-4-10-24-18/h1-10,13-14H,11-12H2/b8-7+