(E)-2-(1,3-benzothiazol-2-ylsulfanyl)but-2-enedioic acid

Systemtic Name: (E)-2-(1,3-benzothiazol-2-ylsulfanyl)but-2-enedioic acid Openeye Name: (E)-2-(1,3-benzothiazol-2-ylsulfanyl)but-2-enedioic acid CAS Name: (E)-2-(1,3-benzothiazol-2-ylthio)-2-butenedioic acid IUPAC Name: (E)-2-(1,3-benzothiazol-2-ylsulfanyl)but-2-enedioic acid Traditional Name: (E)-2-(1,3-benzothiazol-2-ylthio)but-2-enedioic acid Formula: C11H7NO4S2 MolecularWeight: 281.30758

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SC(=CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)S/C(=C/C(=O)O)/C(=O)O

InChI

InChI=1S/C11H7NO4S2/c13-9(14)5-8(10(15)16)18-11-12-6-3-1-2-4-7(6)17-11/h1-5H,(H,13,14)(H,15,16)/b8-5+