1-[2-[(4-oxidanylidene-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]ethanoyl]piperidine-4-carboxylate

Systemtic Name: 1-[2-[(4-oxidanylidene-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]ethanoyl]piperidine-4-carboxylate Openeye Name: 1-[2-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl]piperidine-4-carboxylate CAS Name: 1-[1-oxo-2-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)thio]ethyl]-4-piperidinecarboxylate IUPAC Name: 1-[2-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[(4-keto-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)thio]acetyl]isonipecotate Formula: C20H18N3O4S2- MolecularWeight: 428.50462

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)[O-])C(=O)CSC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2

Isomeric SMILES

C1CN(CCC1C(=O)[O-])C(=O)CSC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2

InChI

InChI=1S/C20H19N3O4S2/c24-15(23-8-6-13(7-9-23)19(26)27)11-29-20-21-17(25)16-14(10-28-18(16)22-20)12-4-2-1-3-5-12/h1-5,10,13H,6-9,11H2,(H,26,27)(H,21,22,25)/p-1