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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C(=CS2)C3=C(C=CC(=C3)C)OC)C(=O)N1CC(=O)O

Isomeric SMILES

CCCC1=NC2=C(C(=CS2)C3=C(C=CC(=C3)C)OC)C(=O)N1CC(=O)O

InChI

InChI=1S/C19H20N2O4S/c1-4-5-15-20-18-17(19(24)21(15)9-16(22)23)13(10-26-18)12-8-11(2)6-7-14(12)25-3/h6-8,10H,4-5,9H2,1-3H3,(H,22,23)