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

Systemtic Name: N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-2-(6-chloranylbenzotriazol-1-yl)oxy-N-methyl-ethanamide Openeye Name: 2-(6-chlorobenzotriazol-1-yl)oxy-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-acetamide CAS Name: 2-[(6-chloro-1-benzotriazolyl)oxy]-N-[(3S)-1,1-dioxo-3-thiolanyl]-N-methylacetamide IUPAC Name: 2-(6-chlorobenzotriazol-1-yl)oxy-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylacetamide Traditional Name: 2-(6-chlorobenzotriazol-1-yl)oxy-N-[(3S)-1,1-diketothiolan-3-yl]-N-methyl-acetamide Formula: C13H15ClN4O4S MolecularWeight: 358.8006

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCS(=O)(=O)C1)C(=O)CON2C3=C(C=CC(=C3)Cl)N=N2

Isomeric SMILES

CN([C@H]1CCS(=O)(=O)C1)C(=O)CON2C3=C(C=CC(=C3)Cl)N=N2

InChI

InChI=1S/C13H15ClN4O4S/c1-17(10-4-5-23(20,21)8-10)13(19)7-22-18-12-6-9(14)2-3-11(12)15-16-18/h2-3,6,10H,4-5,7-8H2,1H3/t10-/m0/s1