3-[(2S,3R,4S)-2-(dimethoxymethyl)-2-methyl-6-nitro-3-oxidanyl-3,4-dihydrochromen-4-yl]-1H-benzimidazole-2-thione

Systemtic Name: 3-[(2S,3R,4S)-2-(dimethoxymethyl)-2-methyl-6-nitro-3-oxidanyl-3,4-dihydrochromen-4-yl]-1H-benzimidazole-2-thione Openeye Name: 3-[(2S,3R,4S)-2-(dimethoxymethyl)-3-hydroxy-2-methyl-6-nitro-chroman-4-yl]-1H-benzimidazole-2-thione CAS Name: 3-[(2S,3R,4S)-2-(dimethoxymethyl)-3-hydroxy-2-methyl-6-nitro-3,4-dihydro-2H-1-benzopyran-4-yl]-1H-benzimidazole-2-thione IUPAC Name: 3-[(2S,3R,4S)-2-(dimethoxymethyl)-3-hydroxy-2-methyl-6-nitro-3,4-dihydrochromen-4-yl]-1H-benzimidazole-2-thione Traditional Name: 3-[(2S,3R,4S)-2-(dimethoxymethyl)-3-hydroxy-2-methyl-6-nitro-chroman-4-yl]-1H-benzimidazole-2-thione Formula: C20H21N3O6S MolecularWeight: 431.46224

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)[N+](=O)[O-])N3C4=CC=CC=C4NC3=S)O)C(OC)OC

Isomeric SMILES

C[C@]1([C@@H]([C@H](C2=C(O1)C=CC(=C2)[N+](=O)[O-])N3C4=CC=CC=C4NC3=S)O)C(OC)OC

InChI

InChI=1S/C20H21N3O6S/c1-20(18(27-2)28-3)17(24)16(12-10-11(23(25)26)8-9-15(12)29-20)22-14-7-5-4-6-13(14)21-19(22)30/h4-10,16-18,24H,1-3H3,(H,21,30)/t16-,17+,20-/m0/s1