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

Systemtic Name: 3-[(2R,3R,4R)-2-(dimethoxymethyl)-2-methyl-6-nitro-3-oxidanyl-3,4-dihydrochromen-4-yl]-5-methyl-1,3-benzoxazole-2-thione Openeye Name: 3-[(2R,3R,4R)-2-(dimethoxymethyl)-3-hydroxy-2-methyl-6-nitro-chroman-4-yl]-5-methyl-1,3-benzoxazole-2-thione CAS Name: 3-[(2R,3R,4R)-2-(dimethoxymethyl)-3-hydroxy-2-methyl-6-nitro-3,4-dihydro-2H-1-benzopyran-4-yl]-5-methyl-1,3-benzoxazole-2-thione IUPAC Name: 3-[(2R,3R,4R)-2-(dimethoxymethyl)-3-hydroxy-2-methyl-6-nitro-3,4-dihydrochromen-4-yl]-5-methyl-1,3-benzoxazole-2-thione Traditional Name: 3-[(2R,3R,4R)-2-(dimethoxymethyl)-3-hydroxy-2-methyl-6-nitro-chroman-4-yl]-5-methyl-1,3-benzoxazole-2-thione Formula: C21H22N2O7S MolecularWeight: 446.47358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=S)N2C3C(C(OC4=C3C=C(C=C4)[N+](=O)[O-])(C)C(OC)OC)O

Isomeric SMILES

CC1=CC2=C(C=C1)OC(=S)N2[C@H]3[C@H]([C@](OC4=C3C=C(C=C4)[N+](=O)[O-])(C)C(OC)OC)O

InChI

InChI=1S/C21H22N2O7S/c1-11-5-7-16-14(9-11)22(20(31)29-16)17-13-10-12(23(25)26)6-8-15(13)30-21(2,18(17)24)19(27-3)28-4/h5-10,17-19,24H,1-4H3/t17-,18-,21-/m1/s1