2-(1,3-benzoxazol-2-ylmethylsulfanyl)benzoic acid

Systemtic Name: 2-(1,3-benzoxazol-2-ylmethylsulfanyl)benzoic acid Openeye Name: 2-(1,3-benzoxazol-2-ylmethylsulfanyl)benzoic acid CAS Name: 2-(1,3-benzoxazol-2-ylmethylthio)benzoic acid IUPAC Name: 2-(1,3-benzoxazol-2-ylmethylsulfanyl)benzoic acid Traditional Name: 2-(1,3-benzoxazol-2-ylmethylthio)benzoic acid Formula: C15H11NO3S MolecularWeight: 285.31774

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)SCC2=NC3=CC=CC=C3O2

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)SCC2=NC3=CC=CC=C3O2

InChI

InChI=1S/C15H11NO3S/c17-15(18)10-5-1-4-8-13(10)20-9-14-16-11-6-2-3-7-12(11)19-14/h1-8H,9H2,(H,17,18)