S-[2-(2,2-dimethylpropanoylamino)-3-(2-nitrooxyethylamino)-3-oxidanylidene-propyl] 2,2-dimethylpropanethioate

Systemtic Name: S-[2-(2,2-dimethylpropanoylamino)-3-(2-nitrooxyethylamino)-3-oxidanylidene-propyl] 2,2-dimethylpropanethioate Openeye Name: S-[2-(2,2-dimethylpropanoylamino)-3-(2-nitrooxyethylamino)-3-oxo-propyl] 2,2-dimethylpropanethioate CAS Name: 2,2-dimethylpropanethioic acid S-[2-[(2,2-dimethyl-1-oxopropyl)amino]-3-(2-nitrooxyethylamino)-3-oxopropyl] ester IUPAC Name: S-[2-(2,2-dimethylpropanoylamino)-3-(2-nitrooxyethylamino)-3-oxopropyl] 2,2-dimethylpropanethioate Traditional Name: 2,2-dimethylpropanethioic acid S-[3-keto-3-(2-nitrooxyethylamino)-2-(pivaloylamino)propyl] ester Formula: C15H27N3O6S MolecularWeight: 377.45638

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NC(CSC(=O)C(C)(C)C)C(=O)NCCO[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C(=O)NC(CSC(=O)C(C)(C)C)C(=O)NCCO[N+](=O)[O-]

InChI

InChI=1S/C15H27N3O6S/c1-14(2,3)12(20)17-10(9-25-13(21)15(4,5)6)11(19)16-7-8-24-18(22)23/h10H,7-9H2,1-6H3,(H,16,19)(H,17,20)