2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-3-oxidanidyl-4,5,6,7-tetrahydro-1,3-benzothiazol-3-ium

Systemtic Name: 2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-3-oxidanidyl-4,5,6,7-tetrahydro-1,3-benzothiazol-3-ium Openeye Name: 2-[(E)-2-(5-nitro-2-furyl)vinyl]-3-oxido-4,5,6,7-tetrahydro-1,3-benzothiazol-3-ium CAS Name: 2-[(E)-2-(5-nitro-2-furanyl)ethenyl]-3-oxido-4,5,6,7-tetrahydro-1,3-benzothiazol-3-ium IUPAC Name: 2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-3-oxido-4,5,6,7-tetrahydro-1,3-benzothiazol-3-ium Traditional Name: 2-[(E)-2-(5-nitro-2-furyl)vinyl]-3-oxido-4,5,6,7-tetrahydro-1,3-benzothiazol-3-ium Formula: C13H12N2O4S MolecularWeight: 292.31038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)[N+](=C(S2)C=CC3=CC=C(O3)[N+](=O)[O-])[O-]

Isomeric SMILES

C1CCC2=C(C1)[N+](=C(S2)/C=C/C3=CC=C(O3)[N+](=O)[O-])[O-]

InChI

InChI=1S/C13H12N2O4S/c16-14-10-3-1-2-4-11(10)20-13(14)8-6-9-5-7-12(19-9)15(17)18/h5-8H,1-4H2/b8-6+