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

Systemtic Name: N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-2-[(2-cyano-4-nitro-phenyl)-ethyl-amino]ethanamide Openeye Name: 2-(2-cyano-N-ethyl-4-nitro-anilino)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide CAS Name: 2-(2-cyano-N-ethyl-4-nitroanilino)-N-[(3S)-1,1-dioxo-3-thiolanyl]acetamide IUPAC Name: 2-(2-cyano-N-ethyl-4-nitroanilino)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide Traditional Name: 2-(2-cyano-N-ethyl-4-nitro-anilino)-N-[(3S)-1,1-diketothiolan-3-yl]acetamide Formula: C15H18N4O5S MolecularWeight: 366.39222

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(=O)NC1CCS(=O)(=O)C1)C2=C(C=C(C=C2)[N+](=O)[O-])C#N

Isomeric SMILES

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

InChI

InChI=1S/C15H18N4O5S/c1-2-18(9-15(20)17-12-5-6-25(23,24)10-12)14-4-3-13(19(21)22)7-11(14)8-16/h3-4,7,12H,2,5-6,9-10H2,1H3,(H,17,20)/t12-/m0/s1