1,1-bis(oxidanylidene)-2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,2-benzothiazol-3-one

Systemtic Name: 1,1-bis(oxidanylidene)-2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,2-benzothiazol-3-one Openeye Name: 1,1-dioxo-2-[[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl]-1,2-benzothiazol-3-one CAS Name: 1,1-dioxo-2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,2-benzothiazol-3-one IUPAC Name: 1,1-dioxo-2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,2-benzothiazol-3-one Traditional Name: 1,1-diketo-2-[[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl]-1,2-benzothiazol-3-one Formula: C14H9N3O4S2 MolecularWeight: 347.36896

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CC3=NC(=NO3)C4=CC=CS4

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CC3=NC(=NO3)C4=CC=CS4

InChI

InChI=1S/C14H9N3O4S2/c18-14-9-4-1-2-6-11(9)23(19,20)17(14)8-12-15-13(16-21-12)10-5-3-7-22-10/h1-7H,8H2