4-[3-(1,3-benzothiazol-2-ylsulfanyl)propoxy]benzoate

Systemtic Name: 4-[3-(1,3-benzothiazol-2-ylsulfanyl)propoxy]benzoate Openeye Name: 4-[3-(1,3-benzothiazol-2-ylsulfanyl)propoxy]benzoate CAS Name: 4-[3-(1,3-benzothiazol-2-ylthio)propoxy]benzoate IUPAC Name: 4-[3-(1,3-benzothiazol-2-ylsulfanyl)propoxy]benzoate Traditional Name: 4-[3-(1,3-benzothiazol-2-ylthio)propoxy]benzoate Formula: C17H14NO3S2- MolecularWeight: 344.42796

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SCCCOC3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SCCCOC3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C17H15NO3S2/c19-16(20)12-6-8-13(9-7-12)21-10-3-11-22-17-18-14-4-1-2-5-15(14)23-17/h1-2,4-9H,3,10-11H2,(H,19,20)/p-1