ethyl 5-azanyl-3-(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-oxidanylidene-thieno[3,4-d]pyridazine-1-carboxylate

Systemtic Name: ethyl 5-azanyl-3-(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-oxidanylidene-thieno[3,4-d]pyridazine-1-carboxylate Openeye Name: ethyl 5-amino-3-(3-ethoxycarbonyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-4-oxo-thieno[3,4-d]pyridazine-1-carboxylate CAS Name: 5-amino-3-(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-oxo-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-3-(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-oxothieno[3,4-d]pyridazine-1-carboxylate Traditional Name: 5-amino-3-(3-carbethoxy-4,5,6,7-tetrahydrobenzothiophen-2-yl)-4-keto-thieno[3,4-d]pyridazine-1-carboxylic acid ethyl ester Formula: C20H21N3O5S2 MolecularWeight: 447.52784

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)N3C(=O)C4=C(SC=C4C(=N3)C(=O)OCC)N

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)N3C(=O)C4=C(SC=C4C(=N3)C(=O)OCC)N

InChI

InChI=1S/C20H21N3O5S2/c1-3-27-19(25)14-10-7-5-6-8-12(10)30-18(14)23-17(24)13-11(9-29-16(13)21)15(22-23)20(26)28-4-2/h9H,3-8,21H2,1-2H3