N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-2-(2-methoxy-5-nitro-phenoxy)ethanamide

Systemtic Name: N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-2-(2-methoxy-5-nitro-phenoxy)ethanamide Openeye Name: N-[(3S)-1,1-dioxothiolan-3-yl]-2-(2-methoxy-5-nitro-phenoxy)acetamide CAS Name: N-[(3S)-1,1-dioxo-3-thiolanyl]-2-(2-methoxy-5-nitrophenoxy)acetamide IUPAC Name: N-[(3S)-1,1-dioxothiolan-3-yl]-2-(2-methoxy-5-nitrophenoxy)acetamide Traditional Name: N-[(3S)-1,1-diketothiolan-3-yl]-2-(2-methoxy-5-nitro-phenoxy)acetamide Formula: C13H16N2O7S MolecularWeight: 344.34034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])OCC(=O)NC2CCS(=O)(=O)C2

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])OCC(=O)N[C@H]2CCS(=O)(=O)C2

InChI

InChI=1S/C13H16N2O7S/c1-21-11-3-2-10(15(17)18)6-12(11)22-7-13(16)14-9-4-5-23(19,20)8-9/h2-3,6,9H,4-5,7-8H2,1H3,(H,14,16)/t9-/m0/s1