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

Systemtic Name: 2-[5-(2,4-dimethylphenyl)-2-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]ethanoic acid Openeye Name: 2-[5-(2,4-dimethylphenyl)-2-methyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl]acetic acid CAS Name: 2-[5-(2,4-dimethylphenyl)-2-methyl-4-oxo-3-thieno[2,3-d]pyrimidinyl]acetic acid IUPAC Name: 2-[5-(2,4-dimethylphenyl)-2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]acetic acid Traditional Name: 2-[5-(2,4-dimethylphenyl)-4-keto-2-methyl-thieno[2,3-d]pyrimidin-3-yl]acetic acid Formula: C17H16N2O3S MolecularWeight: 328.38554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=CSC3=C2C(=O)N(C(=N3)C)CC(=O)O)C

Isomeric SMILES

CC1=CC(=C(C=C1)C2=CSC3=C2C(=O)N(C(=N3)C)CC(=O)O)C

InChI

InChI=1S/C17H16N2O3S/c1-9-4-5-12(10(2)6-9)13-8-23-16-15(13)17(22)19(7-14(20)21)11(3)18-16/h4-6,8H,7H2,1-3H3,(H,20,21)