(2R)-2-(4-oxidanylidene-5-phenyl-2-propyl-thieno[2,3-d]pyrimidin-3-yl)propanoic acid

Systemtic Name: (2R)-2-(4-oxidanylidene-5-phenyl-2-propyl-thieno[2,3-d]pyrimidin-3-yl)propanoic acid Openeye Name: (2R)-2-(4-oxo-5-phenyl-2-propyl-thieno[2,3-d]pyrimidin-3-yl)propanoic acid CAS Name: (2R)-2-(4-oxo-5-phenyl-2-propyl-3-thieno[2,3-d]pyrimidinyl)propanoic acid IUPAC Name: (2R)-2-(4-oxo-5-phenyl-2-propylthieno[2,3-d]pyrimidin-3-yl)propanoic acid Traditional Name: (2R)-2-(4-keto-5-phenyl-2-propyl-thieno[2,3-d]pyrimidin-3-yl)propionic acid Formula: C18H18N2O3S MolecularWeight: 342.41212

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)N1C(C)C(=O)O

Isomeric SMILES

CCCC1=NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)N1[C@H](C)C(=O)O

InChI

InChI=1S/C18H18N2O3S/c1-3-7-14-19-16-15(17(21)20(14)11(2)18(22)23)13(10-24-16)12-8-5-4-6-9-12/h4-6,8-11H,3,7H2,1-2H3,(H,22,23)/t11-/m1/s1