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

Systemtic Name: 3-[5-(4-ethylphenyl)-4-oxidanylidene-2-propyl-thieno[2,3-d]pyrimidin-3-yl]propanoic acid Openeye Name: 3-[5-(4-ethylphenyl)-4-oxo-2-propyl-thieno[2,3-d]pyrimidin-3-yl]propanoic acid CAS Name: 3-[5-(4-ethylphenyl)-4-oxo-2-propyl-3-thieno[2,3-d]pyrimidinyl]propanoic acid IUPAC Name: 3-[5-(4-ethylphenyl)-4-oxo-2-propylthieno[2,3-d]pyrimidin-3-yl]propanoic acid Traditional Name: 3-[5-(4-ethylphenyl)-4-keto-2-propyl-thieno[2,3-d]pyrimidin-3-yl]propionic acid Formula: C20H22N2O3S MolecularWeight: 370.46528

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C(=CS2)C3=CC=C(C=C3)CC)C(=O)N1CCC(=O)O

Isomeric SMILES

CCCC1=NC2=C(C(=CS2)C3=CC=C(C=C3)CC)C(=O)N1CCC(=O)O

InChI

InChI=1S/C20H22N2O3S/c1-3-5-16-21-19-18(20(25)22(16)11-10-17(23)24)15(12-26-19)14-8-6-13(4-2)7-9-14/h6-9,12H,3-5,10-11H2,1-2H3,(H,23,24)