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

Systemtic Name: (E)-but-2-enedioic acid; 4-[5-(2-piperidin-1-ylethyl)thiophen-2-yl]-1,3-thiazol-2-amine Openeye Name: fumaric acid; 4-[5-[2-(1-piperidyl)ethyl]-2-thienyl]thiazol-2-amine CAS Name: (E)-2-butenedioic acid; 4-[5-[2-(1-piperidinyl)ethyl]-2-thiophenyl]-2-thiazolamine IUPAC Name: (E)-but-2-enedioic acid; 4-[5-(2-piperidin-1-ylethyl)thiophen-2-yl]-1,3-thiazol-2-amine Traditional Name: fumaric acid; [4-[5-(2-piperidinoethyl)-2-thienyl]thiazol-2-yl]amine Formula: C18H23N3O4S2 MolecularWeight: 409.52292

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCC2=CC=C(S2)C3=CSC(=N3)N.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CCN(CC1)CCC2=CC=C(S2)C3=CSC(=N3)N.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C14H19N3S2.C4H4O4/c15-14-16-12(10-18-14)13-5-4-11(19-13)6-9-17-7-2-1-3-8-17;5-3(6)1-2-4(7)8/h4-5,10H,1-3,6-9H2,(H2,15,16);1-2H,(H,5,6)(H,7,8)/b;2-1+