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

Systemtic Name: 3-[2-ethyl-5-(2-methoxy-5-methyl-phenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]propanoic acid Openeye Name: 3-[2-ethyl-5-(2-methoxy-5-methyl-phenyl)-4-oxo-thieno[2,3-d]pyrimidin-3-yl]propanoic acid CAS Name: 3-[2-ethyl-5-(2-methoxy-5-methylphenyl)-4-oxo-3-thieno[2,3-d]pyrimidinyl]propanoic acid IUPAC Name: 3-[2-ethyl-5-(2-methoxy-5-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]propanoic acid Traditional Name: 3-[2-ethyl-4-keto-5-(2-methoxy-5-methyl-phenyl)thieno[2,3-d]pyrimidin-3-yl]propionic acid Formula: C19H20N2O4S MolecularWeight: 372.4381

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O4S/c1-4-15-20-18-17(19(24)21(15)8-7-16(22)23)13(10-26-18)12-9-11(2)5-6-14(12)25-3/h5-6,9-10H,4,7-8H2,1-3H3,(H,22,23)