2-[3-(1,3-benzothiazol-2-ylsulfanyl)-2-oxidanyl-propoxy]benzoic acid

Systemtic Name: 2-[3-(1,3-benzothiazol-2-ylsulfanyl)-2-oxidanyl-propoxy]benzoic acid Openeye Name: 2-[3-(1,3-benzothiazol-2-ylsulfanyl)-2-hydroxy-propoxy]benzoic acid CAS Name: 2-[3-(1,3-benzothiazol-2-ylthio)-2-hydroxypropoxy]benzoic acid IUPAC Name: 2-[3-(1,3-benzothiazol-2-ylsulfanyl)-2-hydroxypropoxy]benzoic acid Traditional Name: 2-[3-(1,3-benzothiazol-2-ylthio)-2-hydroxy-propoxy]benzoic acid Formula: C17H15NO4S2 MolecularWeight: 361.4353

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)OCC(CSC2=NC3=CC=CC=C3S2)O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)OCC(CSC2=NC3=CC=CC=C3S2)O

InChI

InChI=1S/C17H15NO4S2/c19-11(9-22-14-7-3-1-5-12(14)16(20)21)10-23-17-18-13-6-2-4-8-15(13)24-17/h1-8,11,19H,9-10H2,(H,20,21)