(E)-but-2-enedioic acid; 3-piperazin-1-ylthieno[2,3-b]pyridine

Systemtic Name: (E)-but-2-enedioic acid; 3-piperazin-1-ylthieno[2,3-b]pyridine Openeye Name: fumaric acid; 3-piperazin-1-ylthieno[2,3-b]pyridine CAS Name: (E)-2-butenedioic acid; 3-(1-piperazinyl)thieno[2,3-b]pyridine IUPAC Name: (E)-but-2-enedioic acid; 3-piperazin-1-ylthieno[2,3-b]pyridine Traditional Name: fumaric acid; 3-piperazinothieno[2,3-b]pyridine Formula: C15H17N3O4S MolecularWeight: 335.37818

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=CSC3=C2C=CC=N3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CN(CCN1)C2=CSC3=C2C=CC=N3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C11H13N3S.C4H4O4/c1-2-9-10(8-15-11(9)13-3-1)14-6-4-12-5-7-14;5-3(6)1-2-4(7)8/h1-3,8,12H,4-7H2;1-2H,(H,5,6)(H,7,8)/b;2-1+