(2E)-2-(3H-1,3-benzothiazol-2-ylidene)-1,3-benzothiazol-6-one phosphate

Systemtic Name: (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-1,3-benzothiazol-6-one phosphate Openeye Name: (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-1,3-benzothiazol-6-one phosphate CAS Name: (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-1,3-benzothiazol-6-one phosphate IUPAC Name: (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-1,3-benzothiazol-6-one phosphate Traditional Name: (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-1,3-benzothiazol-6-one phosphate Formula: C14H8N2O5PS2-3 MolecularWeight: 379.327481

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=C3N=C4C=CC(=O)C=C4S3)S2.[O-]P(=O)([O-])[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N/C(=C\3/N=C4C=CC(=O)C=C4S3)/S2.[O-]P(=O)([O-])[O-]

InChI

InChI=1S/C14H8N2OS2.H3O4P/c17-8-5-6-10-12(7-8)19-14(16-10)13-15-9-3-1-2-4-11(9)18-13;1-5(2,3)4/h1-7,15H;(H3,1,2,3,4)/p-3/b14-13+;