(3S)-1-(2-thiophen-3-ylquinazolin-4-yl)piperidine-3-carboxylate

Systemtic Name: (3S)-1-(2-thiophen-3-ylquinazolin-4-yl)piperidine-3-carboxylate Openeye Name: (3S)-1-[2-(3-thienyl)quinazolin-4-yl]piperidine-3-carboxylate CAS Name: (3S)-1-[2-(3-thiophenyl)-4-quinazolinyl]-3-piperidinecarboxylate IUPAC Name: (3S)-1-(2-thiophen-3-ylquinazolin-4-yl)piperidine-3-carboxylate Traditional Name: (3S)-1-[2-(3-thienyl)quinazolin-4-yl]nipecotate Formula: C18H16N3O2S- MolecularWeight: 338.40354

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=NC(=NC3=CC=CC=C32)C4=CSC=C4)C(=O)[O-]

Isomeric SMILES

C1C[C@@H](CN(C1)C2=NC(=NC3=CC=CC=C32)C4=CSC=C4)C(=O)[O-]

InChI

InChI=1S/C18H17N3O2S/c22-18(23)12-4-3-8-21(10-12)17-14-5-1-2-6-15(14)19-16(20-17)13-7-9-24-11-13/h1-2,5-7,9,11-12H,3-4,8,10H2,(H,22,23)/p-1/t12-/m0/s1