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

Systemtic Name: (E)-but-2-enedioic acid; 1-propoxycarbonyloxyethyl 5-(2-imidazol-1-ylethoxy)thiophene-2-carboxylate Openeye Name: fumaric acid; 1-propoxycarbonyloxyethyl 5-(2-imidazol-1-ylethoxy)thiophene-2-carboxylate CAS Name: (E)-2-butenedioic acid; 5-[2-(1-imidazolyl)ethoxy]-2-thiophenecarboxylic acid 1-[oxo(propoxy)methoxy]ethyl ester IUPAC Name: (E)-but-2-enedioic acid; 1-propoxycarbonyloxyethyl 5-(2-imidazol-1-ylethoxy)thiophene-2-carboxylate Traditional Name: fumaric acid; 5-(2-imidazol-1-ylethoxy)thiophene-2-carboxylic acid 1-propoxycarbonyloxyethyl ester Formula: C20H24N2O10S MolecularWeight: 484.47696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2O6S.C4H4O4/c1-3-9-22-16(20)24-12(2)23-15(19)13-4-5-14(25-13)21-10-8-18-7-6-17-11-18;5-3(6)1-2-4(7)8/h4-7,11-12H,3,8-10H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+