(E)-but-2-enedioic acid; 1-ethoxycarbonyloxyethyl 5-(2-imidazol-1-ylethoxy)thiophene-2-carboxylate

Systemtic Name: (E)-but-2-enedioic acid; 1-ethoxycarbonyloxyethyl 5-(2-imidazol-1-ylethoxy)thiophene-2-carboxylate Openeye Name: 1-ethoxycarbonyloxyethyl 5-(2-imidazol-1-ylethoxy)thiophene-2-carboxylate; fumaric acid CAS Name: (E)-2-butenedioic acid; 5-[2-(1-imidazolyl)ethoxy]-2-thiophenecarboxylic acid 1-ethoxycarbonyloxyethyl ester IUPAC Name: (E)-but-2-enedioic acid; 1-ethoxycarbonyloxyethyl 5-(2-imidazol-1-ylethoxy)thiophene-2-carboxylate Traditional Name: fumaric acid; 5-(2-imidazol-1-ylethoxy)thiophene-2-carboxylic acid 1-carbethoxyoxyethyl ester Formula: C19H22N2O10S MolecularWeight: 470.45038

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)OC(C)OC(=O)C1=CC=C(S1)OCCN2C=CN=C2.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCOC(=O)OC(C)OC(=O)C1=CC=C(S1)OCCN2C=CN=C2.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C15H18N2O6S.C4H4O4/c1-3-20-15(19)23-11(2)22-14(18)12-4-5-13(24-12)21-9-8-17-7-6-16-10-17;5-3(6)1-2-4(7)8/h4-7,10-11H,3,8-9H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+