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

Systemtic Name: 2-[5-(4-ethylphenyl)-2-methyl-thieno[2,3-d]pyrimidin-4-yl]sulfanylethanoic acid Openeye Name: 2-[5-(4-ethylphenyl)-2-methyl-thieno[2,3-d]pyrimidin-4-yl]sulfanylacetic acid CAS Name: 2-[[5-(4-ethylphenyl)-2-methyl-4-thieno[2,3-d]pyrimidinyl]thio]acetic acid IUPAC Name: 2-[5-(4-ethylphenyl)-2-methylthieno[2,3-d]pyrimidin-4-yl]sulfanylacetic acid Traditional Name: 2-[[5-(4-ethylphenyl)-2-methyl-thieno[2,3-d]pyrimidin-4-yl]thio]acetic acid Formula: C17H16N2O2S2 MolecularWeight: 344.45114

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N2O2S2/c1-3-11-4-6-12(7-5-11)13-8-22-16-15(13)17(19-10(2)18-16)23-9-14(20)21/h4-8H,3,9H2,1-2H3,(H,20,21)