2-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-N-(4-chloranyl-3-nitro-phenyl)ethanamide

Systemtic Name: 2-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-N-(4-chloranyl-3-nitro-phenyl)ethanamide Openeye Name: N-(4-chloro-3-nitro-phenyl)-2-[(3S)-1,1-dioxothiolan-3-yl]acetamide CAS Name: N-(4-chloro-3-nitrophenyl)-2-[(3S)-1,1-dioxo-3-thiolanyl]acetamide IUPAC Name: N-(4-chloro-3-nitrophenyl)-2-[(3S)-1,1-dioxothiolan-3-yl]acetamide Traditional Name: N-(4-chloro-3-nitro-phenyl)-2-[(3S)-1,1-diketothiolan-3-yl]acetamide Formula: C12H13ClN2O5S MolecularWeight: 332.76002

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1CC(=O)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CS(=O)(=O)C[C@H]1CC(=O)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C12H13ClN2O5S/c13-10-2-1-9(6-11(10)15(17)18)14-12(16)5-8-3-4-21(19,20)7-8/h1-2,6,8H,3-5,7H2,(H,14,16)/t8-/m1/s1