2-[(5-chloranyl-1,3-benzoxazol-2-yl)sulfanyl]ethanoate

Systemtic Name: 2-[(5-chloranyl-1,3-benzoxazol-2-yl)sulfanyl]ethanoate Openeye Name: 2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]acetate CAS Name: 2-[(5-chloro-1,3-benzoxazol-2-yl)thio]acetate IUPAC Name: 2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]acetate Traditional Name: 2-[(5-chloro-1,3-benzoxazol-2-yl)thio]acetate Formula: C9H5ClNO3S- MolecularWeight: 242.6589

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Cl)N=C(O2)SCC(=O)[O-]

Isomeric SMILES

C1=CC2=C(C=C1Cl)N=C(O2)SCC(=O)[O-]

InChI

InChI=1S/C9H6ClNO3S/c10-5-1-2-7-6(3-5)11-9(14-7)15-4-8(12)13/h1-3H,4H2,(H,12,13)/p-1