1,2-benzothiazepine; (E)-but-2-enedioic acid

Systemtic Name: 1,2-benzothiazepine; (E)-but-2-enedioic acid Openeye Name: 1,2-benzothiazepine; fumaric acid CAS Name: 1,2-benzothiazepine; (E)-2-butenedioic acid IUPAC Name: 1,2-benzothiazepine; (E)-but-2-enedioic acid Traditional Name: 1,2-benzothiazepine; fumaric acid Formula: C13H11NO4S MolecularWeight: 277.29574

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=NS2.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=NS2.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C9H7NS.C4H4O4/c1-2-6-9-8(4-1)5-3-7-10-11-9;5-3(6)1-2-4(7)8/h1-7H;1-2H,(H,5,6)(H,7,8)/b;2-1+