S-[2-acetamido-3-(2-nitrooxyethylamino)-3-oxidanylidene-propyl] 2-phenylpropanethioate

Systemtic Name: S-[2-acetamido-3-(2-nitrooxyethylamino)-3-oxidanylidene-propyl] 2-phenylpropanethioate Openeye Name: S-[2-acetamido-3-(2-nitrooxyethylamino)-3-oxo-propyl] 2-phenylpropanethioate CAS Name: 2-phenylpropanethioic acid S-[2-acetamido-3-(2-nitrooxyethylamino)-3-oxopropyl] ester IUPAC Name: S-[2-acetamido-3-(2-nitrooxyethylamino)-3-oxopropyl] 2-phenylpropanethioate Traditional Name: 2-phenylpropanethioic acid S-[2-acetamido-3-keto-3-(2-nitrooxyethylamino)propyl] ester Formula: C16H21N3O6S MolecularWeight: 383.41944

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)C(=O)SCC(C(=O)NCCO[N+](=O)[O-])NC(=O)C

Isomeric SMILES

CC(C1=CC=CC=C1)C(=O)SCC(C(=O)NCCO[N+](=O)[O-])NC(=O)C

InChI

InChI=1S/C16H21N3O6S/c1-11(13-6-4-3-5-7-13)16(22)26-10-14(18-12(2)20)15(21)17-8-9-25-19(23)24/h3-7,11,14H,8-10H2,1-2H3,(H,17,21)(H,18,20)