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

Systemtic Name: (3S)-1-[5-(3-nitrophenyl)thieno[2,3-d]pyrimidin-4-yl]piperidine-3-carboxylate Openeye Name: (3S)-1-[5-(3-nitrophenyl)thieno[2,3-d]pyrimidin-4-yl]piperidine-3-carboxylate CAS Name: (3S)-1-[5-(3-nitrophenyl)-4-thieno[2,3-d]pyrimidinyl]-3-piperidinecarboxylate IUPAC Name: (3S)-1-[5-(3-nitrophenyl)thieno[2,3-d]pyrimidin-4-yl]piperidine-3-carboxylate Traditional Name: (3S)-1-[5-(3-nitrophenyl)thieno[2,3-d]pyrimidin-4-yl]nipecotate Formula: C18H15N4O4S- MolecularWeight: 383.4011

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N4O4S/c23-18(24)12-4-2-6-21(8-12)16-15-14(9-27-17(15)20-10-19-16)11-3-1-5-13(7-11)22(25)26/h1,3,5,7,9-10,12H,2,4,6,8H2,(H,23,24)/p-1/t12-/m0/s1