2-[2-(1,3-benzothiazol-2-ylsulfanyl)ethylsulfanyl]benzoate

Systemtic Name: 2-[2-(1,3-benzothiazol-2-ylsulfanyl)ethylsulfanyl]benzoate Openeye Name: 2-[2-(1,3-benzothiazol-2-ylsulfanyl)ethylsulfanyl]benzoate CAS Name: 2-[2-(1,3-benzothiazol-2-ylthio)ethylthio]benzoate IUPAC Name: 2-[2-(1,3-benzothiazol-2-ylsulfanyl)ethylsulfanyl]benzoate Traditional Name: 2-[2-(1,3-benzothiazol-2-ylthio)ethylthio]benzoate Formula: C16H12NO2S3- MolecularWeight: 346.46698

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)[O-])SCCSC2=NC3=CC=CC=C3S2

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)[O-])SCCSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C16H13NO2S3/c18-15(19)11-5-1-3-7-13(11)20-9-10-21-16-17-12-6-2-4-8-14(12)22-16/h1-8H,9-10H2,(H,18,19)/p-1