[2-(2,5-diethylphenyl)-2-oxidanylidene-ethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanoate

Systemtic Name: [2-(2,5-diethylphenyl)-2-oxidanylidene-ethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanoate Openeye Name: [2-(2,5-diethylphenyl)-2-oxo-ethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate CAS Name: 2-(4-thieno[2,3-d]pyrimidinylthio)acetic acid [2-(2,5-diethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-diethylphenyl)-2-oxoethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate Traditional Name: 2-(thieno[2,3-d]pyrimidin-4-ylthio)acetic acid [2-(2,5-diethylphenyl)-2-keto-ethyl] ester Formula: C20H20N2O3S2 MolecularWeight: 400.5144

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)CC)C(=O)COC(=O)CSC2=NC=NC3=C2C=CS3

Isomeric SMILES

CCC1=CC(=C(C=C1)CC)C(=O)COC(=O)CSC2=NC=NC3=C2C=CS3

InChI

InChI=1S/C20H20N2O3S2/c1-3-13-5-6-14(4-2)16(9-13)17(23)10-25-18(24)11-27-20-15-7-8-26-19(15)21-12-22-20/h5-9,12H,3-4,10-11H2,1-2H3