ethyl 2-[(1S)-1-(4-ethoxycarbonylpiperidin-1-ium-1-yl)ethyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 2-[(1S)-1-(4-ethoxycarbonylpiperidin-1-ium-1-yl)ethyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 2-[(1S)-1-(4-ethoxycarbonylpiperidin-1-ium-1-yl)ethyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[(1S)-1-(4-ethoxycarbonyl-1-piperidin-1-iumyl)ethyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(1S)-1-(4-ethoxycarbonylpiperidin-1-ium-1-yl)ethyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[(1S)-1-(4-carbethoxypiperidin-1-ium-1-yl)ethyl]-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C20H28N3O5S+ MolecularWeight: 422.51842

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)C(C)C2=NC3=C(C(=C(S3)C(=O)OCC)C)C(=O)N2

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)[C@@H](C)C2=NC3=C(C(=C(S3)C(=O)OCC)C)C(=O)N2

InChI

InChI=1S/C20H27N3O5S/c1-5-27-19(25)13-7-9-23(10-8-13)12(4)16-21-17(24)14-11(3)15(20(26)28-6-2)29-18(14)22-16/h12-13H,5-10H2,1-4H3,(H,21,22,24)/p+1/t12-/m0/s1