(2S)-1-[5-(4-ethoxyphenyl)-6-methyl-thieno[2,3-d]pyrimidin-4-yl]pyrrolidine-2-carboxylate

Systemtic Name: (2S)-1-[5-(4-ethoxyphenyl)-6-methyl-thieno[2,3-d]pyrimidin-4-yl]pyrrolidine-2-carboxylate Openeye Name: (2S)-1-[5-(4-ethoxyphenyl)-6-methyl-thieno[2,3-d]pyrimidin-4-yl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[5-(4-ethoxyphenyl)-6-methyl-4-thieno[2,3-d]pyrimidinyl]-2-pyrrolidinecarboxylate IUPAC Name: (2S)-1-[5-(4-ethoxyphenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-(6-methyl-5-p-phenetyl-thieno[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxylate Formula: C20H20N3O3S- MolecularWeight: 382.4561

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=C(SC3=NC=NC(=C23)N4CCCC4C(=O)[O-])C

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=C(SC3=NC=NC(=C23)N4CCC[C@H]4C(=O)[O-])C

InChI

InChI=1S/C20H21N3O3S/c1-3-26-14-8-6-13(7-9-14)16-12(2)27-19-17(16)18(21-11-22-19)23-10-4-5-15(23)20(24)25/h6-9,11,15H,3-5,10H2,1-2H3,(H,24,25)/p-1/t15-/m0/s1