ethyl 5-cyano-1-(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-oxidanylidene-4-[(E)-2-phenylethenyl]pyridazine-3-carboxylate

Systemtic Name: ethyl 5-cyano-1-(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-oxidanylidene-4-[(E)-2-phenylethenyl]pyridazine-3-carboxylate Openeye Name: ethyl 5-cyano-1-(3-ethoxycarbonyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-6-oxo-4-[(E)-styryl]pyridazine-3-carboxylate CAS Name: 5-cyano-1-(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-oxo-4-[(E)-2-phenylethenyl]-3-pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-1-(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-oxo-4-[(E)-2-phenylethenyl]pyridazine-3-carboxylate Traditional Name: 1-(3-carbethoxy-4,5,6,7-tetrahydrobenzothiophen-2-yl)-5-cyano-6-keto-4-[(E)-styryl]pyridazine-3-carboxylic acid ethyl ester Formula: C27H25N3O5S MolecularWeight: 503.5695

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)N3C(=O)C(=C(C(=N3)C(=O)OCC)C=CC4=CC=CC=C4)C#N

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)N3C(=O)C(=C(C(=N3)C(=O)OCC)/C=C/C4=CC=CC=C4)C#N

InChI

InChI=1S/C27H25N3O5S/c1-3-34-26(32)22-19-12-8-9-13-21(19)36-25(22)30-24(31)20(16-28)18(23(29-30)27(33)35-4-2)15-14-17-10-6-5-7-11-17/h5-7,10-11,14-15H,3-4,8-9,12-13H2,1-2H3/b15-14+