[(E)-2-cyano-4,4-dimethyl-5-(4-nitro-3H-1,2-benzothiazol-2-yl)-3-oxidanylidene-pent-1-enyl] methyl carbonate

Systemtic Name: [(E)-2-cyano-4,4-dimethyl-5-(4-nitro-3H-1,2-benzothiazol-2-yl)-3-oxidanylidene-pent-1-enyl] methyl carbonate Openeye Name: [(E)-2-cyano-4,4-dimethyl-5-(4-nitro-3H-1,2-benzothiazol-2-yl)-3-oxo-pent-1-enyl] methyl carbonate CAS Name: carbonic acid [(E)-2-cyano-4,4-dimethyl-5-(4-nitro-3H-1,2-benzothiazol-2-yl)-3-oxopent-1-enyl] methyl ester IUPAC Name: [(E)-2-cyano-4,4-dimethyl-5-(4-nitro-3H-1,2-benzothiazol-2-yl)-3-oxopent-1-enyl] methyl carbonate Traditional Name: carbonic acid [(E)-2-cyano-3-keto-4,4-dimethyl-5-(4-nitro-3H-1,2-benzothiazol-2-yl)pent-1-enyl] methyl ester Formula: C17H17N3O6S MolecularWeight: 391.39838

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CN1CC2=C(C=CC=C2S1)[N+](=O)[O-])C(=O)C(=COC(=O)OC)C#N

Isomeric SMILES

CC(C)(CN1CC2=C(C=CC=C2S1)[N+](=O)[O-])C(=O)/C(=C/OC(=O)OC)/C#N

InChI

InChI=1S/C17H17N3O6S/c1-17(2,15(21)11(7-18)9-26-16(22)25-3)10-19-8-12-13(20(23)24)5-4-6-14(12)27-19/h4-6,9H,8,10H2,1-3H3/b11-9+