(E)-4-oxidanylidene-4-(2-sulfanylidene-1,3-benzothiazol-3-yl)but-2-enoic acid

Systemtic Name: (E)-4-oxidanylidene-4-(2-sulfanylidene-1,3-benzothiazol-3-yl)but-2-enoic acid Openeye Name: (E)-4-oxo-4-(2-thioxo-1,3-benzothiazol-3-yl)but-2-enoic acid CAS Name: (E)-4-oxo-4-(2-sulfanylidene-1,3-benzothiazol-3-yl)-2-butenoic acid IUPAC Name: (E)-4-oxo-4-(2-sulfanylidene-1,3-benzothiazol-3-yl)but-2-enoic acid Traditional Name: (E)-4-keto-4-(2-thioxo-1,3-benzothiazol-3-yl)but-2-enoic acid Formula: C11H7NO3S2 MolecularWeight: 265.30818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H7NO3S2/c13-9(5-6-10(14)15)12-7-3-1-2-4-8(7)17-11(12)16/h1-6H,(H,14,15)/b6-5+