5H-1,5-benzothiazepin-4-one; (E)-but-2-enedioic acid

Systemtic Name: 5H-1,5-benzothiazepin-4-one; (E)-but-2-enedioic acid Openeye Name: 5H-1,5-benzothiazepin-4-one; fumaric acid CAS Name: 5H-1,5-benzothiazepin-4-one; (E)-2-butenedioic acid IUPAC Name: 5H-1,5-benzothiazepin-4-one; (E)-but-2-enedioic acid Traditional Name: 5H-1,5-benzothiazepin-4-one; fumaric acid Formula: C13H11NO5S MolecularWeight: 293.29514

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=O)C=CS2.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)NC(=O)C=CS2.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C9H7NOS.C4H4O4/c11-9-5-6-12-8-4-2-1-3-7(8)10-9;5-3(6)1-2-4(7)8/h1-6H,(H,10,11);1-2H,(H,5,6)(H,7,8)/b;2-1+