1,3-benzothiazol-2-ylmethyl 2-(1,3-benzothiazol-2-ylmethylsulfanyl)pyridine-3-carboxylate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 2-(1,3-benzothiazol-2-ylmethylsulfanyl)pyridine-3-carboxylate Openeye Name: 1,3-benzothiazol-2-ylmethyl 2-(1,3-benzothiazol-2-ylmethylsulfanyl)pyridine-3-carboxylate CAS Name: 2-(1,3-benzothiazol-2-ylmethylthio)-3-pyridinecarboxylic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 2-(1,3-benzothiazol-2-ylmethylsulfanyl)pyridine-3-carboxylate Traditional Name: 2-(1,3-benzothiazol-2-ylmethylthio)nicotinic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C22H15N3O2S3 MolecularWeight: 449.5684

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)COC(=O)C3=C(N=CC=C3)SCC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)COC(=O)C3=C(N=CC=C3)SCC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C22H15N3O2S3/c26-22(27-12-19-24-15-7-1-3-9-17(15)29-19)14-6-5-11-23-21(14)28-13-20-25-16-8-2-4-10-18(16)30-20/h1-11H,12-13H2