(2,2,4-trimethyl-7-oxabicyclo[2.2.1]heptan-3-yl) 2-[(2-nitrophenyl)sulfanyl-phenyl-amino]ethanoate

Systemtic Name: (2,2,4-trimethyl-7-oxabicyclo[2.2.1]heptan-3-yl) 2-[(2-nitrophenyl)sulfanyl-phenyl-amino]ethanoate Openeye Name: (2,2,4-trimethyl-7-oxabicyclo[2.2.1]heptan-3-yl) 2-(N-(2-nitrophenyl)sulfanylanilino)acetate CAS Name: 2-(N-[(2-nitrophenyl)thio]anilino)acetic acid (2,2,4-trimethyl-7-oxabicyclo[2.2.1]heptan-3-yl) ester IUPAC Name: (2,2,4-trimethyl-7-oxabicyclo[2.2.1]heptan-3-yl) 2-(N-(2-nitrophenyl)sulfanylanilino)acetate Traditional Name: 2-(N-[(2-nitrophenyl)thio]anilino)acetic acid (2,2,4-trimethyl-7-oxabicyclo[2.2.1]heptan-3-yl) ester Formula: C23H26N2O5S MolecularWeight: 442.52794

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2CCC(C1OC(=O)CN(C3=CC=CC=C3)SC4=CC=CC=C4[N+](=O)[O-])(O2)C)C

Isomeric SMILES

CC1(C2CCC(C1OC(=O)CN(C3=CC=CC=C3)SC4=CC=CC=C4[N+](=O)[O-])(O2)C)C

InChI

InChI=1S/C23H26N2O5S/c1-22(2)19-13-14-23(3,30-19)21(22)29-20(26)15-24(16-9-5-4-6-10-16)31-18-12-8-7-11-17(18)25(27)28/h4-12,19,21H,13-15H2,1-3H3