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

Systemtic Name: N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-2-(6-chloranylbenzotriazol-1-yl)oxy-ethanamide Openeye Name: 2-(6-chlorobenzotriazol-1-yl)oxy-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide CAS Name: 2-[(6-chloro-1-benzotriazolyl)oxy]-N-[(3S)-1,1-dioxo-3-thiolanyl]acetamide IUPAC Name: 2-(6-chlorobenzotriazol-1-yl)oxy-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide Traditional Name: 2-(6-chlorobenzotriazol-1-yl)oxy-N-[(3S)-1,1-diketothiolan-3-yl]acetamide Formula: C12H13ClN4O4S MolecularWeight: 344.77402

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1NC(=O)CON2C3=C(C=CC(=C3)Cl)N=N2

Isomeric SMILES

C1CS(=O)(=O)C[C@H]1NC(=O)CON2C3=C(C=CC(=C3)Cl)N=N2

InChI

InChI=1S/C12H13ClN4O4S/c13-8-1-2-10-11(5-8)17(16-15-10)21-6-12(18)14-9-3-4-22(19,20)7-9/h1-2,5,9H,3-4,6-7H2,(H,14,18)/t9-/m0/s1