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

Systemtic Name: 5-bromanyl-3-[(2R,3R,4R)-2-(dimethoxymethyl)-2-methyl-6-nitro-3-oxidanyl-3,4-dihydrochromen-4-yl]-1,3-benzoxazole-2-thione Openeye Name: 5-bromo-3-[(2R,3R,4R)-2-(dimethoxymethyl)-3-hydroxy-2-methyl-6-nitro-chroman-4-yl]-1,3-benzoxazole-2-thione CAS Name: 5-bromo-3-[(2R,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: 5-bromo-3-[(2R,3R,4R)-2-(dimethoxymethyl)-3-hydroxy-2-methyl-6-nitro-3,4-dihydrochromen-4-yl]-1,3-benzoxazole-2-thione Traditional Name: 5-bromo-3-[(2R,3R,4R)-2-(dimethoxymethyl)-3-hydroxy-2-methyl-6-nitro-chroman-4-yl]-1,3-benzoxazole-2-thione Formula: C20H19BrN2O7S MolecularWeight: 511.34306

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)[N+](=O)[O-])N3C4=C(C=CC(=C4)Br)OC3=S)O)C(OC)OC

Isomeric SMILES

C[C@@]1([C@@H]([C@@H](C2=C(O1)C=CC(=C2)[N+](=O)[O-])N3C4=C(C=CC(=C4)Br)OC3=S)O)C(OC)OC

InChI

InChI=1S/C20H19BrN2O7S/c1-20(18(27-2)28-3)17(24)16(12-9-11(23(25)26)5-7-14(12)30-20)22-13-8-10(21)4-6-15(13)29-19(22)31/h4-9,16-18,24H,1-3H3/t16-,17-,20-/m1/s1