6-ethylsulfonyl-2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-1,3-benzoxazole

Systemtic Name: 6-ethylsulfonyl-2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-1,3-benzoxazole Openeye Name: 6-ethylsulfonyl-2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-1,3-benzoxazole CAS Name: 6-ethylsulfonyl-2-[(2-methoxy-5-nitrophenyl)methylthio]-1,3-benzoxazole IUPAC Name: 6-ethylsulfonyl-2-[(2-methoxy-5-nitrophenyl)methylsulfanyl]-1,3-benzoxazole Traditional Name: 6-esyl-2-[(2-methoxy-5-nitro-benzyl)thio]-1,3-benzoxazole Formula: C17H16N2O6S2 MolecularWeight: 408.44874

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC2=C(C=C1)N=C(O2)SCC3=C(C=CC(=C3)[N+](=O)[O-])OC

Isomeric SMILES

CCS(=O)(=O)C1=CC2=C(C=C1)N=C(O2)SCC3=C(C=CC(=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C17H16N2O6S2/c1-3-27(22,23)13-5-6-14-16(9-13)25-17(18-14)26-10-11-8-12(19(20)21)4-7-15(11)24-2/h4-9H,3,10H2,1-2H3