1,3-benzoxazol-2-ylmethyl 2-(1,3-benzoxazol-2-ylmethylsulfanyl)benzoate

Systemtic Name: 1,3-benzoxazol-2-ylmethyl 2-(1,3-benzoxazol-2-ylmethylsulfanyl)benzoate Openeye Name: 1,3-benzoxazol-2-ylmethyl 2-(1,3-benzoxazol-2-ylmethylsulfanyl)benzoate CAS Name: 2-(1,3-benzoxazol-2-ylmethylthio)benzoic acid 1,3-benzoxazol-2-ylmethyl ester IUPAC Name: 1,3-benzoxazol-2-ylmethyl 2-(1,3-benzoxazol-2-ylmethylsulfanyl)benzoate Traditional Name: 2-(1,3-benzoxazol-2-ylmethylthio)benzoic acid 1,3-benzoxazol-2-ylmethyl ester Formula: C23H16N2O4S MolecularWeight: 416.44914

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)OCC2=NC3=CC=CC=C3O2)SCC4=NC5=CC=CC=C5O4

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)OCC2=NC3=CC=CC=C3O2)SCC4=NC5=CC=CC=C5O4

InChI

InChI=1S/C23H16N2O4S/c26-23(27-13-21-24-16-8-2-4-10-18(16)28-21)15-7-1-6-12-20(15)30-14-22-25-17-9-3-5-11-19(17)29-22/h1-12H,13-14H2