S-[2-(dimethylcarbamoyl)phenyl] 2,2-dimethyl-3-nitrooxy-propanethioate

Systemtic Name: S-[2-(dimethylcarbamoyl)phenyl] 2,2-dimethyl-3-nitrooxy-propanethioate Openeye Name: S-[2-(dimethylcarbamoyl)phenyl] 2,2-dimethyl-3-nitrooxy-propanethioate CAS Name: 2,2-dimethyl-3-nitrooxypropanethioic acid S-[2-[dimethylamino(oxo)methyl]phenyl] ester IUPAC Name: S-[2-(dimethylcarbamoyl)phenyl] 2,2-dimethyl-3-nitrooxypropanethioate Traditional Name: 2,2-dimethyl-3-nitrooxy-propanethioic acid S-[2-(dimethylcarbamoyl)phenyl] ester Formula: C14H18N2O5S MolecularWeight: 326.36812

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CO[N+](=O)[O-])C(=O)SC1=CC=CC=C1C(=O)N(C)C

Isomeric SMILES

CC(C)(CO[N+](=O)[O-])C(=O)SC1=CC=CC=C1C(=O)N(C)C

InChI

InChI=1S/C14H18N2O5S/c1-14(2,9-21-16(19)20)13(18)22-11-8-6-5-7-10(11)12(17)15(3)4/h5-8H,9H2,1-4H3