1-[2-(4-oxidanylidene-6-phenyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanoyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[2-(4-oxidanylidene-6-phenyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanoyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-(3-allyl-4-oxo-6-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]piperidine-4-carboxylic acid CAS Name: 1-[1-oxo-2-[(4-oxo-6-phenyl-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl)thio]ethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-(4-oxo-6-phenyl-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-[(3-allyl-4-keto-6-phenyl-thieno[2,3-d]pyrimidin-2-yl)thio]acetyl]isonipecotic acid Formula: C23H23N3O4S2 MolecularWeight: 469.57642

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(N=C1SCC(=O)N3CCC(CC3)C(=O)O)SC(=C2)C4=CC=CC=C4

Isomeric SMILES

C=CCN1C(=O)C2=C(N=C1SCC(=O)N3CCC(CC3)C(=O)O)SC(=C2)C4=CC=CC=C4

InChI

InChI=1S/C23H23N3O4S2/c1-2-10-26-21(28)17-13-18(15-6-4-3-5-7-15)32-20(17)24-23(26)31-14-19(27)25-11-8-16(9-12-25)22(29)30/h2-7,13,16H,1,8-12,14H2,(H,29,30)