N-(4-chloranyl-3-methyl-1,2-oxazol-5-yl)-7-methyl-6-[2-oxidanylidene-2-(thiophen-3-ylsulfonylamino)ethyl]-1,3-benzodioxole-5-carbonitrilium

Systemtic Name: N-(4-chloranyl-3-methyl-1,2-oxazol-5-yl)-7-methyl-6-[2-oxidanylidene-2-(thiophen-3-ylsulfonylamino)ethyl]-1,3-benzodioxole-5-carbonitrilium Openeye Name: N-(4-chloro-3-methyl-isoxazol-5-yl)-7-methyl-6-[2-oxo-2-(3-thienylsulfonylamino)ethyl]-1,3-benzodioxole-5-carbonitrilium CAS Name: N-(4-chloro-3-methyl-5-isoxazolyl)-7-methyl-6-[2-oxo-2-(3-thiophenylsulfonylamino)ethyl]-1,3-benzodioxole-5-carbonitrilium IUPAC Name: N-(4-chloro-3-methyl-1,2-oxazol-5-yl)-7-methyl-6-[2-oxo-2-(thiophen-3-ylsulfonylamino)ethyl]-1,3-benzodioxole-5-carbonitrilium Traditional Name: N-(4-chloro-3-methyl-isoxazol-5-yl)-6-[2-keto-2-(3-thienylsulfonylamino)ethyl]-7-methyl-1,3-benzodioxole-5-carbonitrilium Formula: C19H15ClN3O6S2+ MolecularWeight: 480.9219

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC2=C1OCO2)C#[N+]C3=C(C(=NO3)C)Cl)CC(=O)NS(=O)(=O)C4=CSC=C4

Isomeric SMILES

CC1=C(C(=CC2=C1OCO2)C#[N+]C3=C(C(=NO3)C)Cl)CC(=O)NS(=O)(=O)C4=CSC=C4

InChI

InChI=1S/C19H14ClN3O6S2/c1-10-14(6-16(24)23-31(25,26)13-3-4-30-8-13)12(5-15-18(10)28-9-27-15)7-21-19-17(20)11(2)22-29-19/h3-5,8H,6,9H2,1-2H3/p+1