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

Systemtic Name: N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-2-chloranyl-N-ethyl-4-nitro-benzamide Openeye Name: 2-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-4-nitro-benzamide CAS Name: 2-chloro-N-[(3S)-1,1-dioxo-3-thiolanyl]-N-ethyl-4-nitrobenzamide IUPAC Name: 2-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-4-nitrobenzamide Traditional Name: 2-chloro-N-[(3S)-1,1-diketothiolan-3-yl]-N-ethyl-4-nitro-benzamide Formula: C13H15ClN2O5S MolecularWeight: 346.7866

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1CCS(=O)(=O)C1)C(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CCN([C@H]1CCS(=O)(=O)C1)C(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C13H15ClN2O5S/c1-2-15(10-5-6-22(20,21)8-10)13(17)11-4-3-9(16(18)19)7-12(11)14/h3-4,7,10H,2,5-6,8H2,1H3/t10-/m0/s1