2-[(6S)-5,5-dimethyl-2-nitro-6-oxidanyl-6,7-dihydrothieno[3,2-b]pyran-7-yl]-3H-isoindol-1-one

Systemtic Name: 2-[(6S)-5,5-dimethyl-2-nitro-6-oxidanyl-6,7-dihydrothieno[3,2-b]pyran-7-yl]-3H-isoindol-1-one Openeye Name: 2-[(6S)-6-hydroxy-5,5-dimethyl-2-nitro-6,7-dihydrothieno[3,2-b]pyran-7-yl]isoindolin-1-one CAS Name: 2-[(6S)-6-hydroxy-5,5-dimethyl-2-nitro-6,7-dihydrothieno[3,2-b]pyran-7-yl]-3H-isoindol-1-one IUPAC Name: 2-[(6S)-6-hydroxy-5,5-dimethyl-2-nitro-6,7-dihydrothieno[3,2-b]pyran-7-yl]-3H-isoindol-1-one Traditional Name: 2-[(6S)-6-hydroxy-5,5-dimethyl-2-nitro-6,7-dihydrothieno[3,2-b]pyran-7-yl]isoindolin-1-one Formula: C17H16N2O5S MolecularWeight: 360.38434

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=C(S2)[N+](=O)[O-])N3CC4=CC=CC=C4C3=O)O)C

Isomeric SMILES

CC1([C@H](C(C2=C(O1)C=C(S2)[N+](=O)[O-])N3CC4=CC=CC=C4C3=O)O)C

InChI

InChI=1S/C17H16N2O5S/c1-17(2)15(20)13(14-11(24-17)7-12(25-14)19(22)23)18-8-9-5-3-4-6-10(9)16(18)21/h3-7,13,15,20H,8H2,1-2H3/t13?,15-/m0/s1