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

Systemtic Name: N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-2-(4-methoxy-2-nitro-phenoxy)-N-propyl-ethanamide Openeye Name: N-[(3S)-1,1-dioxothiolan-3-yl]-2-(4-methoxy-2-nitro-phenoxy)-N-propyl-acetamide CAS Name: N-[(3S)-1,1-dioxo-3-thiolanyl]-2-(4-methoxy-2-nitrophenoxy)-N-propylacetamide IUPAC Name: N-[(3S)-1,1-dioxothiolan-3-yl]-2-(4-methoxy-2-nitrophenoxy)-N-propylacetamide Traditional Name: N-[(3S)-1,1-diketothiolan-3-yl]-2-(4-methoxy-2-nitro-phenoxy)-N-propyl-acetamide Formula: C16H22N2O7S MolecularWeight: 386.42008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O7S/c1-3-7-17(12-6-8-26(22,23)11-12)16(19)10-25-15-5-4-13(24-2)9-14(15)18(20)21/h4-5,9,12H,3,6-8,10-11H2,1-2H3/t12-/m0/s1