6-ethylsulfonyl-2-[(4-nitrophenyl)methylsulfanyl]-1,3-benzoxazole

Systemtic Name: 6-ethylsulfonyl-2-[(4-nitrophenyl)methylsulfanyl]-1,3-benzoxazole Openeye Name: 6-ethylsulfonyl-2-[(4-nitrophenyl)methylsulfanyl]-1,3-benzoxazole CAS Name: 6-ethylsulfonyl-2-[(4-nitrophenyl)methylthio]-1,3-benzoxazole IUPAC Name: 6-ethylsulfonyl-2-[(4-nitrophenyl)methylsulfanyl]-1,3-benzoxazole Traditional Name: 6-esyl-2-[(4-nitrobenzyl)thio]-1,3-benzoxazole Formula: C16H14N2O5S2 MolecularWeight: 378.42276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N2O5S2/c1-2-25(21,22)13-7-8-14-15(9-13)23-16(17-14)24-10-11-3-5-12(6-4-11)18(19)20/h3-9H,2,10H2,1H3