3-(1,3-benzoxazol-2-ylsulfanylmethyl)benzoate

Systemtic Name: 3-(1,3-benzoxazol-2-ylsulfanylmethyl)benzoate Openeye Name: 3-(1,3-benzoxazol-2-ylsulfanylmethyl)benzoate CAS Name: 3-[(1,3-benzoxazol-2-ylthio)methyl]benzoate IUPAC Name: 3-(1,3-benzoxazol-2-ylsulfanylmethyl)benzoate Traditional Name: 3-[(1,3-benzoxazol-2-ylthio)methyl]benzoate Formula: C15H10NO3S- MolecularWeight: 284.3098

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(O2)SCC3=CC=CC(=C3)C(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(O2)SCC3=CC=CC(=C3)C(=O)[O-]

InChI

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