2-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-N-(6-nitro-1,3-benzothiazol-2-yl)ethanamide

Systemtic Name: 2-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-N-(6-nitro-1,3-benzothiazol-2-yl)ethanamide Openeye Name: 2-[(3S)-1,1-dioxothiolan-3-yl]-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide CAS Name: 2-[(3S)-1,1-dioxo-3-thiolanyl]-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide IUPAC Name: 2-[(3S)-1,1-dioxothiolan-3-yl]-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide Traditional Name: 2-[(3S)-1,1-diketothiolan-3-yl]-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide Formula: C13H13N3O5S2 MolecularWeight: 355.38942

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1CC(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CS(=O)(=O)C[C@H]1CC(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C13H13N3O5S2/c17-12(5-8-3-4-23(20,21)7-8)15-13-14-10-2-1-9(16(18)19)6-11(10)22-13/h1-2,6,8H,3-5,7H2,(H,14,15,17)/t8-/m1/s1