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

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

CCC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C(=N3)C)CC(=O)O

Isomeric SMILES

CCC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C(=N3)C)CC(=O)O

InChI

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