ethyl 4-azanyl-1-[3-azanyl-5-ethoxycarbonyl-2-(8-oxidanylquinolin-5-yl)carbonyl-thieno[2,3-b]thiophen-4-yl]-6-azanylidene-5-cyano-pyridazine-3-carboxylate

Systemtic Name: ethyl 4-azanyl-1-[3-azanyl-5-ethoxycarbonyl-2-(8-oxidanylquinolin-5-yl)carbonyl-thieno[2,3-b]thiophen-4-yl]-6-azanylidene-5-cyano-pyridazine-3-carboxylate Openeye Name: ethyl 4-amino-1-[3-amino-5-ethoxycarbonyl-2-(8-hydroxyquinoline-5-carbonyl)thieno[2,3-b]thiophen-4-yl]-5-cyano-6-imino-pyridazine-3-carboxylate CAS Name: 4-amino-1-[3-amino-5-ethoxycarbonyl-2-[(8-hydroxy-5-quinolinyl)-oxomethyl]-4-thieno[2,3-b]thiophenyl]-5-cyano-6-imino-3-pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-1-[3-amino-5-ethoxycarbonyl-2-(8-hydroxyquinoline-5-carbonyl)thieno[2,3-b]thiophen-4-yl]-5-cyano-6-iminopyridazine-3-carboxylate Traditional Name: 4-amino-1-[3-amino-5-carbethoxy-2-(8-hydroxyquinoline-5-carbonyl)thieno[2,3-b]thiophen-4-yl]-5-cyano-6-imino-pyridazine-3-carboxylic acid ethyl ester Formula: C27H21N7O6S2 MolecularWeight: 603.62894

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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)N5C(=N)C(=C(C(=N5)C(=O)OCC)N)C#N

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)SC(=C2N)C(=O)C3=C4C=CC=NC4=C(C=C3)O)N5C(=N)C(=C(C(=N5)C(=O)OCC)N)C#N

InChI

InChI=1S/C27H21N7O6S2/c1-3-39-25(37)19-16(29)13(10-28)24(31)34(33-19)20-15-17(30)22(41-27(15)42-23(20)26(38)40-4-2)21(36)12-7-8-14(35)18-11(12)6-5-9-32-18/h5-9,31,35H,3-4,29-30H2,1-2H3