S-[(2R)-2-acetamido-3-(2-nitrooxyethylamino)-3-oxidanylidene-propyl] pyridine-3-carbothioate

Systemtic Name: S-[(2R)-2-acetamido-3-(2-nitrooxyethylamino)-3-oxidanylidene-propyl] pyridine-3-carbothioate Openeye Name: S-[(2R)-2-acetamido-3-(2-nitrooxyethylamino)-3-oxo-propyl] pyridine-3-carbothioate CAS Name: 3-pyridinecarbothioic acid S-[(2R)-2-acetamido-3-(2-nitrooxyethylamino)-3-oxopropyl] ester IUPAC Name: S-[(2R)-2-acetamido-3-(2-nitrooxyethylamino)-3-oxopropyl] pyridine-3-carbothioate Traditional Name: pyridine-3-carbothioic acid S-[(2R)-2-acetamido-3-keto-3-(2-nitrooxyethylamino)propyl] ester Formula: C13H16N4O6S MolecularWeight: 356.35434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(=O)N[C@@H](CSC(=O)C1=CN=CC=C1)C(=O)NCCO[N+](=O)[O-]

InChI

InChI=1S/C13H16N4O6S/c1-9(18)16-11(12(19)15-5-6-23-17(21)22)8-24-13(20)10-3-2-4-14-7-10/h2-4,7,11H,5-6,8H2,1H3,(H,15,19)(H,16,18)/t11-/m0/s1