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

Systemtic Name: (E)-but-2-enedioic acid; 1-ethoxyethyl 5-(2-imidazol-1-ylethoxy)thiophene-2-carboxylate Openeye Name: 1-ethoxyethyl 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-ethoxyethyl ester IUPAC Name: (E)-but-2-enedioic acid; 1-ethoxyethyl 5-(2-imidazol-1-ylethoxy)thiophene-2-carboxylate Traditional Name: fumaric acid; 5-(2-imidazol-1-ylethoxy)thiophene-2-carboxylic acid 1-ethoxyethyl ester Formula: C18H22N2O8S MolecularWeight: 426.44088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O4S.C4H4O4/c1-3-18-11(2)20-14(17)12-4-5-13(21-12)19-9-8-16-7-6-15-10-16;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+