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

Systemtic Name: (2R)-1-[5-(3-nitrophenyl)thieno[2,3-d]pyrimidin-4-yl]pyrrolidine-2-carboxylate Openeye Name: (2R)-1-[5-(3-nitrophenyl)thieno[2,3-d]pyrimidin-4-yl]pyrrolidine-2-carboxylate CAS Name: (2R)-1-[5-(3-nitrophenyl)-4-thieno[2,3-d]pyrimidinyl]-2-pyrrolidinecarboxylate IUPAC Name: (2R)-1-[5-(3-nitrophenyl)thieno[2,3-d]pyrimidin-4-yl]pyrrolidine-2-carboxylate Traditional Name: (2R)-1-[5-(3-nitrophenyl)thieno[2,3-d]pyrimidin-4-yl]pyrrolidine-2-carboxylate Formula: C17H13N4O4S- MolecularWeight: 369.37452

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C2=C3C(=CSC3=NC=N2)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)[O-]

Isomeric SMILES

C1C[C@@H](N(C1)C2=C3C(=CSC3=NC=N2)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)[O-]

InChI

InChI=1S/C17H14N4O4S/c22-17(23)13-5-2-6-20(13)15-14-12(8-26-16(14)19-9-18-15)10-3-1-4-11(7-10)21(24)25/h1,3-4,7-9,13H,2,5-6H2,(H,22,23)/p-1/t13-/m1/s1