3-[5-(3,4-dimethylphenyl)-2-ethyl-6-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]propanoic acid

Systemtic Name: 3-[5-(3,4-dimethylphenyl)-2-ethyl-6-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]propanoic acid Openeye Name: 3-[5-(3,4-dimethylphenyl)-2-ethyl-6-methyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl]propanoic acid CAS Name: 3-[5-(3,4-dimethylphenyl)-2-ethyl-6-methyl-4-oxo-3-thieno[2,3-d]pyrimidinyl]propanoic acid IUPAC Name: 3-[5-(3,4-dimethylphenyl)-2-ethyl-6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]propanoic acid Traditional Name: 3-[5-(3,4-dimethylphenyl)-2-ethyl-4-keto-6-methyl-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(=C(S2)C)C3=CC(=C(C=C3)C)C)C(=O)N1CCC(=O)O

Isomeric SMILES

CCC1=NC2=C(C(=C(S2)C)C3=CC(=C(C=C3)C)C)C(=O)N1CCC(=O)O

InChI

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