1,3-bis[(5-ethylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]propan-2-one

Systemtic Name: 1,3-bis[(5-ethylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]propan-2-one Openeye Name: 1,3-bis[(5-ethylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]propan-2-one CAS Name: 1,3-bis[(5-ethylsulfonyl-1,3-benzoxazol-2-yl)thio]-2-propanone IUPAC Name: 1,3-bis[(5-ethylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]propan-2-one Traditional Name: 1,3-bis[(5-esyl-1,3-benzoxazol-2-yl)thio]acetone Formula: C21H20N2O7S4 MolecularWeight: 540.6527

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC2=C(C=C1)OC(=N2)SCC(=O)CSC3=NC4=C(O3)C=CC(=C4)S(=O)(=O)CC

Isomeric SMILES

CCS(=O)(=O)C1=CC2=C(C=C1)OC(=N2)SCC(=O)CSC3=NC4=C(O3)C=CC(=C4)S(=O)(=O)CC

InChI

InChI=1S/C21H20N2O7S4/c1-3-33(25,26)14-5-7-18-16(9-14)22-20(29-18)31-11-13(24)12-32-21-23-17-10-15(34(27,28)4-2)6-8-19(17)30-21/h5-10H,3-4,11-12H2,1-2H3