N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-N-butyl-2-(4-methoxy-2-nitro-phenoxy)ethanamide

Systemtic Name: N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-N-butyl-2-(4-methoxy-2-nitro-phenoxy)ethanamide Openeye Name: N-butyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-(4-methoxy-2-nitro-phenoxy)acetamide CAS Name: N-butyl-N-[(3S)-1,1-dioxo-3-thiolanyl]-2-(4-methoxy-2-nitrophenoxy)acetamide IUPAC Name: N-butyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-(4-methoxy-2-nitrophenoxy)acetamide Traditional Name: N-butyl-N-[(3S)-1,1-diketothiolan-3-yl]-2-(4-methoxy-2-nitro-phenoxy)acetamide Formula: C17H24N2O7S MolecularWeight: 400.44666

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1CCS(=O)(=O)C1)C(=O)COC2=C(C=C(C=C2)OC)[N+](=O)[O-]

Isomeric SMILES

CCCCN([C@H]1CCS(=O)(=O)C1)C(=O)COC2=C(C=C(C=C2)OC)[N+](=O)[O-]

InChI

InChI=1S/C17H24N2O7S/c1-3-4-8-18(13-7-9-27(23,24)12-13)17(20)11-26-16-6-5-14(25-2)10-15(16)19(21)22/h5-6,10,13H,3-4,7-9,11-12H2,1-2H3/t13-/m0/s1