(E)-1,3-diethoxy-3-oxidanylidene-2-(3-phenyl-1,2,3,4-thiatriazol-3-ium-5-yl)prop-1-en-1-olate

Systemtic Name: (E)-1,3-diethoxy-3-oxidanylidene-2-(3-phenyl-1,2,3,4-thiatriazol-3-ium-5-yl)prop-1-en-1-olate Openeye Name: (E)-1,3-diethoxy-3-oxo-2-(3-phenylthiatriazol-3-ium-5-yl)prop-1-en-1-olate CAS Name: (E)-1,3-diethoxy-3-oxo-2-(3-phenyl-5-thiatriazol-3-iumyl)-1-propen-1-olate IUPAC Name: (E)-1,3-diethoxy-3-oxo-2-(3-phenylthiatriazol-3-ium-5-yl)prop-1-en-1-olate Traditional Name: (E)-1,3-diethoxy-3-keto-2-(3-phenylthiatriazol-3-ium-5-yl)prop-1-en-1-olate Formula: C14H15N3O4S MolecularWeight: 321.3516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=C(C1=N[N+](=NS1)C2=CC=CC=C2)C(=O)OCC)[O-]

Isomeric SMILES

CCO/C(=C(/C1=N[N+](=NS1)C2=CC=CC=C2)\C(=O)OCC)/[O-]

InChI

InChI=1S/C14H15N3O4S/c1-3-20-13(18)11(14(19)21-4-2)12-15-17(16-22-12)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3