4-[2-(1,3-benzothiazol-2-ylsulfanyl)ethoxy]benzoic acid

Systemtic Name: 4-[2-(1,3-benzothiazol-2-ylsulfanyl)ethoxy]benzoic acid Openeye Name: 4-[2-(1,3-benzothiazol-2-ylsulfanyl)ethoxy]benzoic acid CAS Name: 4-[2-(1,3-benzothiazol-2-ylthio)ethoxy]benzoic acid IUPAC Name: 4-[2-(1,3-benzothiazol-2-ylsulfanyl)ethoxy]benzoic acid Traditional Name: 4-[2-(1,3-benzothiazol-2-ylthio)ethoxy]benzoic acid Formula: C16H13NO3S2 MolecularWeight: 331.40932

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SCCOC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SCCOC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C16H13NO3S2/c18-15(19)11-5-7-12(8-6-11)20-9-10-21-16-17-13-3-1-2-4-14(13)22-16/h1-8H,9-10H2,(H,18,19)