(Z)-2-(1,3-benzothiazol-2-yl)-1-ethoxy-2-(3-methyl-1,2,3-thiadiazol-3-ium-5-yl)ethenolate

Systemtic Name: (Z)-2-(1,3-benzothiazol-2-yl)-1-ethoxy-2-(3-methyl-1,2,3-thiadiazol-3-ium-5-yl)ethenolate Openeye Name: (Z)-2-(1,3-benzothiazol-2-yl)-1-ethoxy-2-(3-methylthiadiazol-3-ium-5-yl)ethenolate CAS Name: (Z)-2-(1,3-benzothiazol-2-yl)-1-ethoxy-2-(3-methyl-5-thiadiazol-3-iumyl)ethenolate IUPAC Name: (Z)-2-(1,3-benzothiazol-2-yl)-1-ethoxy-2-(3-methylthiadiazol-3-ium-5-yl)ethenolate Traditional Name: (Z)-2-(1,3-benzothiazol-2-yl)-1-ethoxy-2-(3-methylthiadiazol-3-ium-5-yl)ethenolate Formula: C14H13N3O2S2 MolecularWeight: 319.40192

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=C(C1=C[N+](=NS1)C)C2=NC3=CC=CC=C3S2)[O-]

Isomeric SMILES

CCO/C(=C(/C1=C[N+](=NS1)C)\C2=NC3=CC=CC=C3S2)/[O-]

InChI

InChI=1S/C14H13N3O2S2/c1-3-19-14(18)12(11-8-17(2)16-21-11)13-15-9-6-4-5-7-10(9)20-13/h4-8H,3H2,1-2H3