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

Systemtic Name: ethyl 1-[[5-(3-methoxyphenyl)-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[[5-(3-methoxyphenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]piperidine-4-carboxylate CAS Name: 1-[[5-(3-methoxyphenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[5-(3-methoxyphenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]piperidine-4-carboxylate Traditional Name: 1-[[4-keto-5-(3-methoxyphenyl)-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]isonipecotic acid ethyl ester Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O4S/c1-3-29-22(27)14-7-9-25(10-8-14)12-18-23-20(26)19-17(13-30-21(19)24-18)15-5-4-6-16(11-15)28-2/h4-6,11,13-14H,3,7-10,12H2,1-2H3,(H,23,24,26)