3-[2-ethyl-4-oxidanylidene-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-3-yl]propanoic acid

Systemtic Name: 3-[2-ethyl-4-oxidanylidene-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-3-yl]propanoic acid Openeye Name: 3-[2-ethyl-5-(4-isopropylphenyl)-4-oxo-thieno[2,3-d]pyrimidin-3-yl]propanoic acid CAS Name: 3-[2-ethyl-4-oxo-5-(4-propan-2-ylphenyl)-3-thieno[2,3-d]pyrimidinyl]propanoic acid IUPAC Name: 3-[2-ethyl-4-oxo-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-3-yl]propanoic acid Traditional Name: 3-(2-ethyl-4-keto-5-p-cumenyl-thieno[2,3-d]pyrimidin-3-yl)propionic acid Formula: C20H22N2O3S MolecularWeight: 370.46528

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C(=CS2)C3=CC=C(C=C3)C(C)C)C(=O)N1CCC(=O)O

Isomeric SMILES

CCC1=NC2=C(C(=CS2)C3=CC=C(C=C3)C(C)C)C(=O)N1CCC(=O)O

InChI

InChI=1S/C20H22N2O3S/c1-4-16-21-19-18(20(25)22(16)10-9-17(23)24)15(11-26-19)14-7-5-13(6-8-14)12(2)3/h5-8,11-12H,4,9-10H2,1-3H3,(H,23,24)