N-(4-chloranyl-3-methyl-1,2-oxazol-5-yl)-6-methoxy-5-[2-oxidanylidene-2-(thiophen-3-ylsulfonylamino)ethyl]-1,3-benzodioxole-4-carbonitrilium

Systemtic Name: N-(4-chloranyl-3-methyl-1,2-oxazol-5-yl)-6-methoxy-5-[2-oxidanylidene-2-(thiophen-3-ylsulfonylamino)ethyl]-1,3-benzodioxole-4-carbonitrilium Openeye Name: N-(4-chloro-3-methyl-isoxazol-5-yl)-6-methoxy-5-[2-oxo-2-(3-thienylsulfonylamino)ethyl]-1,3-benzodioxole-4-carbonitrilium CAS Name: N-(4-chloro-3-methyl-5-isoxazolyl)-6-methoxy-5-[2-oxo-2-(3-thiophenylsulfonylamino)ethyl]-1,3-benzodioxole-4-carbonitrilium IUPAC Name: N-(4-chloro-3-methyl-1,2-oxazol-5-yl)-6-methoxy-5-[2-oxo-2-(thiophen-3-ylsulfonylamino)ethyl]-1,3-benzodioxole-4-carbonitrilium Traditional Name: N-(4-chloro-3-methyl-isoxazol-5-yl)-5-[2-keto-2-(3-thienylsulfonylamino)ethyl]-6-methoxy-1,3-benzodioxole-4-carbonitrilium Formula: C19H15ClN3O7S2+ MolecularWeight: 496.9213

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1Cl)[N+]#CC2=C3C(=CC(=C2CC(=O)NS(=O)(=O)C4=CSC=C4)OC)OCO3

Isomeric SMILES

CC1=NOC(=C1Cl)[N+]#CC2=C3C(=CC(=C2CC(=O)NS(=O)(=O)C4=CSC=C4)OC)OCO3

InChI

InChI=1S/C19H14ClN3O7S2/c1-10-17(20)19(30-22-10)21-7-13-12(14(27-2)6-15-18(13)29-9-28-15)5-16(24)23-32(25,26)11-3-4-31-8-11/h3-4,6,8H,5,9H2,1-2H3/p+1