1-[2-(4-oxidanylidene-5-phenyl-3-propan-2-yl-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanoyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[2-(4-oxidanylidene-5-phenyl-3-propan-2-yl-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanoyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-(3-isopropyl-4-oxo-5-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]piperidine-4-carboxylic acid CAS Name: 1-[1-oxo-2-[(4-oxo-5-phenyl-3-propan-2-yl-2-thieno[2,3-d]pyrimidinyl)thio]ethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-(4-oxo-5-phenyl-3-propan-2-ylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-[(3-isopropyl-4-keto-5-phenyl-thieno[2,3-d]pyrimidin-2-yl)thio]acetyl]isonipecotic acid Formula: C23H25N3O4S2 MolecularWeight: 471.5923

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=C(N=C1SCC(=O)N3CCC(CC3)C(=O)O)SC=C2C4=CC=CC=C4

Isomeric SMILES

CC(C)N1C(=O)C2=C(N=C1SCC(=O)N3CCC(CC3)C(=O)O)SC=C2C4=CC=CC=C4

InChI

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