ethyl 6-azanylidene-5-cyano-1-(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-methyl-pyridazine-3-carboxylate

Systemtic Name: ethyl 6-azanylidene-5-cyano-1-(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-methyl-pyridazine-3-carboxylate Openeye Name: ethyl 5-cyano-1-(3-ethoxycarbonyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-6-imino-4-methyl-pyridazine-3-carboxylate CAS Name: 5-cyano-1-(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-imino-4-methyl-3-pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-1-(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-imino-4-methylpyridazine-3-carboxylate Traditional Name: 1-(3-carbethoxy-4,5,6,7-tetrahydrobenzothiophen-2-yl)-5-cyano-6-imino-4-methyl-pyridazine-3-carboxylic acid ethyl ester Formula: C20H22N4O4S MolecularWeight: 414.47808

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)N3C(=N)C(=C(C(=N3)C(=O)OCC)C)C#N

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)N3C(=N)C(=C(C(=N3)C(=O)OCC)C)C#N

InChI

InChI=1S/C20H22N4O4S/c1-4-27-19(25)15-12-8-6-7-9-14(12)29-18(15)24-17(22)13(10-21)11(3)16(23-24)20(26)28-5-2/h22H,4-9H2,1-3H3