2-(1,3-benzoxazol-2-yl)-1-(2-chloranyl-4-methylsulfonyl-phenyl)-3-cyclopropyl-propane-1,3-dione

Systemtic Name: 2-(1,3-benzoxazol-2-yl)-1-(2-chloranyl-4-methylsulfonyl-phenyl)-3-cyclopropyl-propane-1,3-dione Openeye Name: 2-(1,3-benzoxazol-2-yl)-1-(2-chloro-4-methylsulfonyl-phenyl)-3-cyclopropyl-propane-1,3-dione CAS Name: 2-(1,3-benzoxazol-2-yl)-1-(2-chloro-4-methylsulfonylphenyl)-3-cyclopropylpropane-1,3-dione IUPAC Name: 2-(1,3-benzoxazol-2-yl)-1-(2-chloro-4-methylsulfonylphenyl)-3-cyclopropylpropane-1,3-dione Traditional Name: 2-(1,3-benzoxazol-2-yl)-1-(2-chloro-4-mesyl-phenyl)-3-cyclopropyl-propane-1,3-dione Formula: C20H16ClNO5S MolecularWeight: 417.86274

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C(C2=NC3=CC=CC=C3O2)C(=O)C4CC4)Cl

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C(C2=NC3=CC=CC=C3O2)C(=O)C4CC4)Cl

InChI

InChI=1S/C20H16ClNO5S/c1-28(25,26)12-8-9-13(14(21)10-12)19(24)17(18(23)11-6-7-11)20-22-15-4-2-3-5-16(15)27-20/h2-5,8-11,17H,6-7H2,1H3