ethyl 4-[(3-ethoxycarbonylpiperidin-1-yl)methyl]-3-ethyl-2-oxidanylidene-6-thiophen-3-yl-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[(3-ethoxycarbonylpiperidin-1-yl)methyl]-3-ethyl-2-oxidanylidene-6-thiophen-3-yl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 4-[(3-ethoxycarbonyl-1-piperidyl)methyl]-3-ethyl-2-oxo-6-(3-thienyl)-1,6-dihydropyrimidine-5-carboxylate CAS Name: 4-[(3-ethoxycarbonyl-1-piperidinyl)methyl]-3-ethyl-2-oxo-6-(3-thiophenyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3-ethoxycarbonylpiperidin-1-yl)methyl]-3-ethyl-2-oxo-6-thiophen-3-yl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 4-[(3-carbethoxypiperidino)methyl]-3-ethyl-2-keto-6-(3-thienyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C22H31N3O5S MolecularWeight: 449.56364

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(NC1=O)C2=CSC=C2)C(=O)OCC)CN3CCCC(C3)C(=O)OCC

Isomeric SMILES

CCN1C(=C(C(NC1=O)C2=CSC=C2)C(=O)OCC)CN3CCCC(C3)C(=O)OCC

InChI

InChI=1S/C22H31N3O5S/c1-4-25-17(13-24-10-7-8-15(12-24)20(26)29-5-2)18(21(27)30-6-3)19(23-22(25)28)16-9-11-31-14-16/h9,11,14-15,19H,4-8,10,12-13H2,1-3H3,(H,23,28)