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

Systemtic Name: (3S)-1-[5-(4-ethylphenyl)thieno[2,3-d]pyrimidin-4-yl]piperidine-3-carboxylate Openeye Name: (3S)-1-[5-(4-ethylphenyl)thieno[2,3-d]pyrimidin-4-yl]piperidine-3-carboxylate CAS Name: (3S)-1-[5-(4-ethylphenyl)-4-thieno[2,3-d]pyrimidinyl]-3-piperidinecarboxylate IUPAC Name: (3S)-1-[5-(4-ethylphenyl)thieno[2,3-d]pyrimidin-4-yl]piperidine-3-carboxylate Traditional Name: (3S)-1-[5-(4-ethylphenyl)thieno[2,3-d]pyrimidin-4-yl]nipecotate Formula: C20H20N3O2S- MolecularWeight: 366.4567

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)N4CCCC(C4)C(=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)N4CCC[C@@H](C4)C(=O)[O-]

InChI

InChI=1S/C20H21N3O2S/c1-2-13-5-7-14(8-6-13)16-11-26-19-17(16)18(21-12-22-19)23-9-3-4-15(10-23)20(24)25/h5-8,11-12,15H,2-4,9-10H2,1H3,(H,24,25)/p-1/t15-/m0/s1