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

Systemtic Name: methyl 1-[2-[(4-oxidanylidene-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]propanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]propanoyl]piperidine-4-carboxylate CAS Name: 1-[1-oxo-2-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methylthio]propyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]propanoyl]piperidine-4-carboxylate Traditional Name: 1-[2-[(4-keto-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methylthio]propanoyl]isonipecotic acid methyl ester Formula: C23H25N3O4S2 MolecularWeight: 471.5923

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC(CC1)C(=O)OC)SCC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2

Isomeric SMILES

CC(C(=O)N1CCC(CC1)C(=O)OC)SCC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2

InChI

InChI=1S/C23H25N3O4S2/c1-14(22(28)26-10-8-16(9-11-26)23(29)30-2)31-13-18-24-20(27)19-17(12-32-21(19)25-18)15-6-4-3-5-7-15/h3-7,12,14,16H,8-11,13H2,1-2H3,(H,24,25,27)