(E)-but-2-enedioic acid; 1-ethoxycarbonyloxyethyl [3-(2-imidazol-1-ylethoxy)thiophen-2-yl] carbonate

Systemtic Name: (E)-but-2-enedioic acid; 1-ethoxycarbonyloxyethyl [3-(2-imidazol-1-ylethoxy)thiophen-2-yl] carbonate Openeye Name: 1-ethoxycarbonyloxyethyl [3-(2-imidazol-1-ylethoxy)-2-thienyl] carbonate; fumaric acid CAS Name: (E)-2-butenedioic acid; carbonic acid 1-ethoxycarbonyloxyethyl [3-[2-(1-imidazolyl)ethoxy]-2-thiophenyl] ester IUPAC Name: (E)-but-2-enedioic acid; 1-ethoxycarbonyloxyethyl [3-(2-imidazol-1-ylethoxy)thiophen-2-yl] carbonate Traditional Name: carbonic acid 1-carbethoxyoxyethyl [3-(2-imidazol-1-ylethoxy)-2-thienyl] ester; fumaric acid Formula: C19H22N2O11S MolecularWeight: 486.44978

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)OC(C)OC(=O)OC1=C(C=CS1)OCCN2C=CN=C2.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCOC(=O)OC(C)OC(=O)OC1=C(C=CS1)OCCN2C=CN=C2.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C15H18N2O7S.C4H4O4/c1-3-20-14(18)22-11(2)23-15(19)24-13-12(4-9-25-13)21-8-7-17-6-5-16-10-17;5-3(6)1-2-4(7)8/h4-6,9-11H,3,7-8H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+