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

Systemtic Name: 3-[(2S,3R,4S)-2-(dimethoxymethyl)-2-methyl-6-nitro-3-oxidanyl-3,4-dihydrochromen-4-yl]-5-methoxy-1,3-benzoxazole-2-thione Openeye Name: 3-[(2S,3R,4S)-2-(dimethoxymethyl)-3-hydroxy-2-methyl-6-nitro-chroman-4-yl]-5-methoxy-1,3-benzoxazole-2-thione CAS Name: 3-[(2S,3R,4S)-2-(dimethoxymethyl)-3-hydroxy-2-methyl-6-nitro-3,4-dihydro-2H-1-benzopyran-4-yl]-5-methoxy-1,3-benzoxazole-2-thione IUPAC Name: 3-[(2S,3R,4S)-2-(dimethoxymethyl)-3-hydroxy-2-methyl-6-nitro-3,4-dihydrochromen-4-yl]-5-methoxy-1,3-benzoxazole-2-thione Traditional Name: 3-[(2S,3R,4S)-2-(dimethoxymethyl)-3-hydroxy-2-methyl-6-nitro-chroman-4-yl]-5-methoxy-1,3-benzoxazole-2-thione Formula: C21H22N2O8S MolecularWeight: 462.47298

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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)OC)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)OC)OC3=S)O)C(OC)OC

InChI

InChI=1S/C21H22N2O8S/c1-21(19(28-3)29-4)18(24)17(13-9-11(23(25)26)5-7-15(13)31-21)22-14-10-12(27-2)6-8-16(14)30-20(22)32/h5-10,17-19,24H,1-4H3/t17-,18+,21-/m0/s1