(Z)-[4-diazonio-2-ethoxycarbonyl-3-(2-ethoxy-2-oxidanylidene-ethyl)thieno[2,3-b]pyrrol-5-ylidene]-ethoxy-methanolate

Systemtic Name: (Z)-[4-diazonio-2-ethoxycarbonyl-3-(2-ethoxy-2-oxidanylidene-ethyl)thieno[2,3-b]pyrrol-5-ylidene]-ethoxy-methanolate Openeye Name: (Z)-[4-diazonio-2-ethoxycarbonyl-3-(2-ethoxy-2-oxo-ethyl)thieno[2,3-b]pyrrol-5-ylidene]-ethoxy-methanolate CAS Name: (Z)-[4-diazonio-2-ethoxycarbonyl-3-(2-ethoxy-2-oxoethyl)-5-thieno[2,3-b]pyrrolylidene]-ethoxymethanolate IUPAC Name: (Z)-[4-diazonio-2-ethoxycarbonyl-3-(2-ethoxy-2-oxoethyl)thieno[2,3-b]pyrrol-5-ylidene]-ethoxymethanolate Traditional Name: (Z)-[2-carbethoxy-4-diazonio-3-(2-ethoxy-2-keto-ethyl)thieno[2,3-b]pyrrol-5-ylidene]-ethoxy-methanolate Formula: C16H17N3O6S MolecularWeight: 379.38768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=C(SC2=NC(=C([O-])OCC)C(=C12)[N+]#N)C(=O)OCC

Isomeric SMILES

CCOC(=O)CC1=C(SC2=N/C(=C(/[O-])\OCC)/C(=C12)[N+]#N)C(=O)OCC

InChI

InChI=1S/C16H17N3O6S/c1-4-23-9(20)7-8-10-11(19-17)12(15(21)24-5-2)18-14(10)26-13(8)16(22)25-6-3/h4-7H2,1-3H3