(E)-but-2-enedioic acid; 4-[5-(piperidin-1-ylmethyl)thiophen-2-yl]-1,3-thiazol-2-amine

Systemtic Name: (E)-but-2-enedioic acid; 4-[5-(piperidin-1-ylmethyl)thiophen-2-yl]-1,3-thiazol-2-amine Openeye Name: fumaric acid; 4-[5-(1-piperidylmethyl)-2-thienyl]thiazol-2-amine CAS Name: (E)-2-butenedioic acid; 4-[5-(1-piperidinylmethyl)-2-thiophenyl]-2-thiazolamine IUPAC Name: (E)-but-2-enedioic acid; 4-[5-(piperidin-1-ylmethyl)thiophen-2-yl]-1,3-thiazol-2-amine Traditional Name: fumaric acid; [4-[5-(piperidinomethyl)-2-thienyl]thiazol-2-yl]amine Formula: C17H21N3O4S2 MolecularWeight: 395.49634

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=CC=C(S2)C3=CSC(=N3)N.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CCN(CC1)CC2=CC=C(S2)C3=CSC(=N3)N.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C13H17N3S2.C4H4O4/c14-13-15-11(9-17-13)12-5-4-10(18-12)8-16-6-2-1-3-7-16;5-3(6)1-2-4(7)8/h4-5,9H,1-3,6-8H2,(H2,14,15);1-2H,(H,5,6)(H,7,8)/b;2-1+