3-azanyl-5-ethoxycarbonyl-2-(8-oxidanylquinolin-5-yl)carbonyl-thieno[2,3-b]thiophene-4-diazonium chloride

Systemtic Name: 3-azanyl-5-ethoxycarbonyl-2-(8-oxidanylquinolin-5-yl)carbonyl-thieno[2,3-b]thiophene-4-diazonium chloride Openeye Name: 3-amino-5-ethoxycarbonyl-2-(8-hydroxyquinoline-5-carbonyl)thieno[2,3-b]thiophene-4-diazonium chloride CAS Name: 3-amino-5-ethoxycarbonyl-2-[(8-hydroxy-5-quinolinyl)-oxomethyl]-4-thieno[2,3-b]thiophenediazonium chloride IUPAC Name: 3-amino-5-ethoxycarbonyl-2-(8-hydroxyquinoline-5-carbonyl)thieno[2,3-b]thiophene-4-diazonium chloride Traditional Name: 3-amino-5-carbethoxy-2-(8-hydroxyquinoline-5-carbonyl)thieno[2,3-b]thiophene-4-diazonium chloride Formula: C19H13ClN4O4S2 MolecularWeight: 460.91392

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)SC(=C2N)C(=O)C3=C4C=CC=NC4=C(C=C3)O)[N+]#N.[Cl-]

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)SC(=C2N)C(=O)C3=C4C=CC=NC4=C(C=C3)O)[N+]#N.[Cl-]

InChI

InChI=1S/C19H12N4O4S2.ClH/c1-2-27-18(26)17-14(23-21)11-12(20)16(28-19(11)29-17)15(25)9-5-6-10(24)13-8(9)4-3-7-22-13;/h3-7H,2H2,1H3,(H2-,20,24,25);1H