(E)-but-2-enedioic acid; 5H-thieno[3,2-c][1]benzazepine

Systemtic Name: (E)-but-2-enedioic acid; 5H-thieno[3,2-c][1]benzazepine Openeye Name: fumaric acid; 5H-thieno[3,2-c][1]benzazepine CAS Name: (E)-2-butenedioic acid; 5H-thieno[3,2-c][1]benzazepine IUPAC Name: (E)-but-2-enedioic acid; 5H-thieno[3,2-c][1]benzazepine Traditional Name: fumaric acid; 5H-thieno[3,2-c][1]benzazepine Formula: C16H13NO4S MolecularWeight: 315.34372

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C3C(=CN2)C=CS3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=C3C(=CN2)C=CS3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C12H9NS.C4H4O4/c1-2-4-11-9(3-1)7-12-10(8-13-11)5-6-14-12;5-3(6)1-2-4(7)8/h1-8,13H;1-2H,(H,5,6)(H,7,8)/b;2-1+