[3,4,5-triacetyloxy-6-(2-nitroimidazol-1-yl)thian-2-yl]methyl ethanoate

Systemtic Name: [3,4,5-triacetyloxy-6-(2-nitroimidazol-1-yl)thian-2-yl]methyl ethanoate Openeye Name: [3,4,5-triacetoxy-6-(2-nitroimidazol-1-yl)tetrahydrothiopyran-2-yl]methyl acetate CAS Name: acetic acid [3,4,5-triacetyloxy-6-(2-nitro-1-imidazolyl)-2-thianyl]methyl ester IUPAC Name: [3,4,5-triacetyloxy-6-(2-nitroimidazol-1-yl)thian-2-yl]methyl acetate Traditional Name: acetic acid [3,4,5-triacetoxy-6-(2-nitroimidazol-1-yl)tetrahydrothiopyran-2-yl]methyl ester Formula: C17H21N3O10S MolecularWeight: 459.42774

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(C(C(S1)N2C=CN=C2[N+](=O)[O-])OC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)OCC1C(C(C(C(S1)N2C=CN=C2[N+](=O)[O-])OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C17H21N3O10S/c1-8(21)27-7-12-13(28-9(2)22)14(29-10(3)23)15(30-11(4)24)16(31-12)19-6-5-18-17(19)20(25)26/h5-6,12-16H,7H2,1-4H3