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

Systemtic Name: N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-N-butyl-2-(6-chloranylbenzotriazol-1-yl)oxy-ethanamide Openeye Name: N-butyl-2-(6-chlorobenzotriazol-1-yl)oxy-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide CAS Name: N-butyl-2-[(6-chloro-1-benzotriazolyl)oxy]-N-[(3S)-1,1-dioxo-3-thiolanyl]acetamide IUPAC Name: N-butyl-2-(6-chlorobenzotriazol-1-yl)oxy-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide Traditional Name: N-butyl-2-(6-chlorobenzotriazol-1-yl)oxy-N-[(3S)-1,1-diketothiolan-3-yl]acetamide Formula: C16H21ClN4O4S MolecularWeight: 400.88034

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21ClN4O4S/c1-2-3-7-20(13-6-8-26(23,24)11-13)16(22)10-25-21-15-9-12(17)4-5-14(15)18-19-21/h4-5,9,13H,2-3,6-8,10-11H2,1H3/t13-/m0/s1