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

Systemtic Name: (2S)-1-[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]pyrrolidine-2-carboxylate Openeye Name: (2S)-1-[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[5-(4-methoxyphenyl)-4-thieno[2,3-d]pyrimidinyl]-2-pyrrolidinecarboxylate IUPAC Name: (2S)-1-[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]pyrrolidine-2-carboxylate Formula: C18H16N3O3S- MolecularWeight: 354.40294

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)N4CCCC4C(=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)N4CCC[C@H]4C(=O)[O-]

InChI

InChI=1S/C18H17N3O3S/c1-24-12-6-4-11(5-7-12)13-9-25-17-15(13)16(19-10-20-17)21-8-2-3-14(21)18(22)23/h4-7,9-10,14H,2-3,8H2,1H3,(H,22,23)/p-1/t14-/m0/s1