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

Systemtic Name: 2-(1,3-benzoxazol-2-ylsulfanylmethyl)benzoic acid Openeye Name: 2-(1,3-benzoxazol-2-ylsulfanylmethyl)benzoic acid CAS Name: 2-[(1,3-benzoxazol-2-ylthio)methyl]benzoic acid IUPAC Name: 2-(1,3-benzoxazol-2-ylsulfanylmethyl)benzoic acid Traditional Name: 2-[(1,3-benzoxazol-2-ylthio)methyl]benzoic acid Formula: C15H11NO3S MolecularWeight: 285.31774

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSC2=NC3=CC=CC=C3O2)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)CSC2=NC3=CC=CC=C3O2)C(=O)O

InChI

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