(E)-4-oxidanylidene-4-[(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)amino]but-2-enoic acid

Systemtic Name: (E)-4-oxidanylidene-4-[(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)amino]but-2-enoic acid Openeye Name: (E)-4-oxo-4-[(2-thioxo-3H-1,3-benzothiazol-6-yl)amino]but-2-enoic acid CAS Name: (E)-4-oxo-4-[(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)amino]-2-butenoic acid IUPAC Name: (E)-4-oxo-4-[(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)amino]but-2-enoic acid Traditional Name: (E)-4-keto-4-[(2-thioxo-3H-1,3-benzothiazol-6-yl)amino]but-2-enoic acid Formula: C11H8N2O3S2 MolecularWeight: 280.32282

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1NC(=O)C=CC(=O)O)SC(=S)N2

Isomeric SMILES

C1=CC2=C(C=C1NC(=O)/C=C/C(=O)O)SC(=S)N2

InChI

InChI=1S/C11H8N2O3S2/c14-9(3-4-10(15)16)12-6-1-2-7-8(5-6)18-11(17)13-7/h1-5H,(H,12,14)(H,13,17)(H,15,16)/b4-3+