1-[(6S,7S)-5,5-dimethyl-2-nitro-6-oxidanyl-6,7-dihydrothieno[3,2-b]pyran-7-yl]azepan-2-one

Systemtic Name: 1-[(6S,7S)-5,5-dimethyl-2-nitro-6-oxidanyl-6,7-dihydrothieno[3,2-b]pyran-7-yl]azepan-2-one Openeye Name: 1-[(6S,7S)-6-hydroxy-5,5-dimethyl-2-nitro-6,7-dihydrothieno[3,2-b]pyran-7-yl]azepan-2-one CAS Name: 1-[(6S,7S)-6-hydroxy-5,5-dimethyl-2-nitro-6,7-dihydrothieno[3,2-b]pyran-7-yl]-2-azepanone IUPAC Name: 1-[(6S,7S)-6-hydroxy-5,5-dimethyl-2-nitro-6,7-dihydrothieno[3,2-b]pyran-7-yl]azepan-2-one Traditional Name: 1-[(6S,7S)-6-hydroxy-5,5-dimethyl-2-nitro-6,7-dihydrothieno[3,2-b]pyran-7-yl]azepan-2-one Formula: C15H20N2O5S MolecularWeight: 340.3947

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=C(S2)[N+](=O)[O-])N3CCCCCC3=O)O)C

Isomeric SMILES

CC1([C@H]([C@@H](C2=C(O1)C=C(S2)[N+](=O)[O-])N3CCCCCC3=O)O)C

InChI

InChI=1S/C15H20N2O5S/c1-15(2)14(19)12(16-7-5-3-4-6-10(16)18)13-9(22-15)8-11(23-13)17(20)21/h8,12,14,19H,3-7H2,1-2H3/t12-,14+/m1/s1