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

Systemtic Name: S-[(2R)-2-acetamido-3-(2-nitrooxyethylamino)-3-oxidanylidene-propyl] benzenecarbothioate Openeye Name: S-[(2R)-2-acetamido-3-(2-nitrooxyethylamino)-3-oxo-propyl] benzenecarbothioate CAS Name: benzenecarbothioic acid S-[(2R)-2-acetamido-3-(2-nitrooxyethylamino)-3-oxopropyl] ester IUPAC Name: S-[(2R)-2-acetamido-3-(2-nitrooxyethylamino)-3-oxopropyl] benzenecarbothioate Traditional Name: thiobenzoic acid S-[(2R)-2-acetamido-3-keto-3-(2-nitrooxyethylamino)propyl] ester Formula: C14H17N3O6S MolecularWeight: 355.36628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N3O6S/c1-10(18)16-12(13(19)15-7-8-23-17(21)22)9-24-14(20)11-5-3-2-4-6-11/h2-6,12H,7-9H2,1H3,(H,15,19)(H,16,18)/t12-/m0/s1