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

Systemtic Name: 3-[(2S,3R,4R)-2-(methoxymethyl)-2-methyl-6-nitro-3-oxidanyl-3,4-dihydrochromen-4-yl]-1,3-benzoxazole-2-thione Openeye Name: 3-[(2S,3R,4R)-3-hydroxy-2-(methoxymethyl)-2-methyl-6-nitro-chroman-4-yl]-1,3-benzoxazole-2-thione CAS Name: 3-[(2S,3R,4R)-3-hydroxy-2-(methoxymethyl)-2-methyl-6-nitro-3,4-dihydro-2H-1-benzopyran-4-yl]-1,3-benzoxazole-2-thione IUPAC Name: 3-[(2S,3R,4R)-3-hydroxy-2-(methoxymethyl)-2-methyl-6-nitro-3,4-dihydrochromen-4-yl]-1,3-benzoxazole-2-thione Traditional Name: 3-[(2S,3R,4R)-3-hydroxy-2-(methoxymethyl)-2-methyl-6-nitro-chroman-4-yl]-1,3-benzoxazole-2-thione Formula: C19H18N2O6S MolecularWeight: 402.42102

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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)COC

Isomeric SMILES

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

InChI

InChI=1S/C19H18N2O6S/c1-19(10-25-2)17(22)16(12-9-11(21(23)24)7-8-14(12)27-19)20-13-5-3-4-6-15(13)26-18(20)28/h3-9,16-17,22H,10H2,1-2H3/t16-,17-,19+/m1/s1