S-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]ethyl] 4-nitro-2-prop-2-enyl-benzenecarbothioate

Systemtic Name: S-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]ethyl] 4-nitro-2-prop-2-enyl-benzenecarbothioate Openeye Name: S-[2-[2-(tert-butoxycarbonylamino)phenyl]ethyl] 2-allyl-4-nitro-benzenecarbothioate CAS Name: 4-nitro-2-prop-2-enylbenzenecarbothioic acid S-[2-[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]phenyl]ethyl] ester IUPAC Name: S-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]ethyl] 4-nitro-2-prop-2-enylbenzenecarbothioate Traditional Name: 2-allyl-4-nitro-thiobenzoic acid S-[2-[2-(tert-butoxycarbonylamino)phenyl]ethyl] ester Formula: C23H26N2O5S MolecularWeight: 442.52794

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=CC=CC=C1CCSC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])CC=C

Isomeric SMILES

CC(C)(C)OC(=O)NC1=CC=CC=C1CCSC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])CC=C

InChI

InChI=1S/C23H26N2O5S/c1-5-8-17-15-18(25(28)29)11-12-19(17)21(26)31-14-13-16-9-6-7-10-20(16)24-22(27)30-23(2,3)4/h5-7,9-12,15H,1,8,13-14H2,2-4H3,(H,24,27)