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

Systemtic Name: 3-[(2S,3R,4R)-2-(dimethoxymethyl)-2-methyl-6-nitro-3-oxidanyl-3,4-dihydrochromen-4-yl]-1,3-benzoxazole-2-thione Openeye Name: 3-[(2S,3R,4R)-2-(dimethoxymethyl)-3-hydroxy-2-methyl-6-nitro-chroman-4-yl]-1,3-benzoxazole-2-thione CAS Name: 3-[(2S,3R,4R)-2-(dimethoxymethyl)-3-hydroxy-2-methyl-6-nitro-3,4-dihydro-2H-1-benzopyran-4-yl]-1,3-benzoxazole-2-thione IUPAC Name: 3-[(2S,3R,4R)-2-(dimethoxymethyl)-3-hydroxy-2-methyl-6-nitro-3,4-dihydrochromen-4-yl]-1,3-benzoxazole-2-thione Traditional Name: 3-[(2S,3R,4R)-2-(dimethoxymethyl)-3-hydroxy-2-methyl-6-nitro-chroman-4-yl]-1,3-benzoxazole-2-thione Formula: C20H20N2O7S MolecularWeight: 432.447

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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=C4OC3=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=C4OC3=S)O)C(OC)OC

InChI

InChI=1S/C20H20N2O7S/c1-20(18(26-2)27-3)17(23)16(12-10-11(22(24)25)8-9-14(12)29-20)21-13-6-4-5-7-15(13)28-19(21)30/h4-10,16-18,23H,1-3H3/t16-,17-,20+/m1/s1