(5-methyl-2-oxidanylidene-1,3-dioxol-4-yl)methyl [2-acetamido-3-(2-nitrooxyethylamino)-3-oxidanylidene-propyl]sulfanylmethanoate

Systemtic Name: (5-methyl-2-oxidanylidene-1,3-dioxol-4-yl)methyl [2-acetamido-3-(2-nitrooxyethylamino)-3-oxidanylidene-propyl]sulfanylmethanoate Openeye Name: (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl [2-acetamido-3-(2-nitrooxyethylamino)-3-oxo-propyl]sulfanylformate CAS Name: [[2-acetamido-3-(2-nitrooxyethylamino)-3-oxopropyl]thio]formic acid (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl ester IUPAC Name: (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl [2-acetamido-3-(2-nitrooxyethylamino)-3-oxopropyl]sulfanylformate Traditional Name: [[2-acetamido-3-keto-3-(2-nitrooxyethylamino)propyl]thio]formic acid (2-keto-5-methyl-1,3-dioxol-4-yl)methyl ester Formula: C13H17N3O10S MolecularWeight: 407.35318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC(=O)O1)COC(=O)SCC(C(=O)NCCO[N+](=O)[O-])NC(=O)C

Isomeric SMILES

CC1=C(OC(=O)O1)COC(=O)SCC(C(=O)NCCO[N+](=O)[O-])NC(=O)C

InChI

InChI=1S/C13H17N3O10S/c1-7-10(26-12(19)25-7)5-23-13(20)27-6-9(15-8(2)17)11(18)14-3-4-24-16(21)22/h9H,3-6H2,1-2H3,(H,14,18)(H,15,17)