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

Systemtic Name: 2-[2-(2-methylphenyl)-4-oxidanylidene-5-phenyl-thieno[2,3-d]pyrimidin-3-yl]ethanoic acid Openeye Name: 2-[2-(o-tolyl)-4-oxo-5-phenyl-thieno[2,3-d]pyrimidin-3-yl]acetic acid CAS Name: 2-[2-(2-methylphenyl)-4-oxo-5-phenyl-3-thieno[2,3-d]pyrimidinyl]acetic acid IUPAC Name: 2-[2-(2-methylphenyl)-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl]acetic acid Traditional Name: 2-[4-keto-2-(o-tolyl)-5-phenyl-thieno[2,3-d]pyrimidin-3-yl]acetic acid Formula: C21H16N2O3S MolecularWeight: 376.42834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2CC(=O)O

Isomeric SMILES

CC1=CC=CC=C1C2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2CC(=O)O

InChI

InChI=1S/C21H16N2O3S/c1-13-7-5-6-10-15(13)19-22-20-18(21(26)23(19)11-17(24)25)16(12-27-20)14-8-3-2-4-9-14/h2-10,12H,11H2,1H3,(H,24,25)