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

Systemtic Name: 3-[(2R,3S,4S)-2-(diethoxymethyl)-2-methyl-6-nitro-3-oxidanyl-3,4-dihydrochromen-4-yl]-1,3-benzoxazole-2-thione Openeye Name: 3-[(2R,3S,4S)-2-(diethoxymethyl)-3-hydroxy-2-methyl-6-nitro-chroman-4-yl]-1,3-benzoxazole-2-thione CAS Name: 3-[(2R,3S,4S)-2-(diethoxymethyl)-3-hydroxy-2-methyl-6-nitro-3,4-dihydro-2H-1-benzopyran-4-yl]-1,3-benzoxazole-2-thione IUPAC Name: 3-[(2R,3S,4S)-2-(diethoxymethyl)-3-hydroxy-2-methyl-6-nitro-3,4-dihydrochromen-4-yl]-1,3-benzoxazole-2-thione Traditional Name: 3-[(2R,3S,4S)-2-(diethoxymethyl)-3-hydroxy-2-methyl-6-nitro-chroman-4-yl]-1,3-benzoxazole-2-thione Formula: C22H24N2O7S MolecularWeight: 460.50016

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C1(C(C(C2=C(O1)C=CC(=C2)[N+](=O)[O-])N3C4=CC=CC=C4OC3=S)O)C)OCC

Isomeric SMILES

CCOC([C@]1([C@H]([C@H](C2=C(O1)C=CC(=C2)[N+](=O)[O-])N3C4=CC=CC=C4OC3=S)O)C)OCC

InChI

InChI=1S/C22H24N2O7S/c1-4-28-20(29-5-2)22(3)19(25)18(14-12-13(24(26)27)10-11-16(14)31-22)23-15-8-6-7-9-17(15)30-21(23)32/h6-12,18-20,25H,4-5H2,1-3H3/t18-,19-,22+/m0/s1