ethyl 1-[[5-(4-methylphenyl)-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[[5-(4-methylphenyl)-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[[4-oxo-5-(p-tolyl)-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]piperidine-4-carboxylate CAS Name: 1-[[5-(4-methylphenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[5-(4-methylphenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]piperidine-4-carboxylate Traditional Name: 1-[[4-keto-5-(p-tolyl)-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]isonipecotic acid ethyl ester Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)CC2=NC3=C(C(=CS3)C4=CC=C(C=C4)C)C(=O)N2

Isomeric SMILES

CCOC(=O)C1CCN(CC1)CC2=NC3=C(C(=CS3)C4=CC=C(C=C4)C)C(=O)N2

InChI

InChI=1S/C22H25N3O3S/c1-3-28-22(27)16-8-10-25(11-9-16)12-18-23-20(26)19-17(13-29-21(19)24-18)15-6-4-14(2)5-7-15/h4-7,13,16H,3,8-12H2,1-2H3,(H,23,24,26)