2-(1,3-benzoxazol-2-ylsulfanyl)-N-[3-(4-ethoxyphenoxy)-5-nitro-phenyl]ethanamide

Systemtic Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[3-(4-ethoxyphenoxy)-5-nitro-phenyl]ethanamide Openeye Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[3-(4-ethoxyphenoxy)-5-nitro-phenyl]acetamide CAS Name: 2-(1,3-benzoxazol-2-ylthio)-N-[3-(4-ethoxyphenoxy)-5-nitrophenyl]acetamide IUPAC Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[3-(4-ethoxyphenoxy)-5-nitrophenyl]acetamide Traditional Name: 2-(1,3-benzoxazol-2-ylthio)-N-[3-(4-ethoxyphenoxy)-5-nitro-phenyl]acetamide Formula: C23H19N3O6S MolecularWeight: 465.47846

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)CSC3=NC4=CC=CC=C4O3

Isomeric SMILES

CCOC1=CC=C(C=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)CSC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C23H19N3O6S/c1-2-30-17-7-9-18(10-8-17)31-19-12-15(11-16(13-19)26(28)29)24-22(27)14-33-23-25-20-5-3-4-6-21(20)32-23/h3-13H,2,14H2,1H3,(H,24,27)