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

Systemtic Name: [2-(2,4-dimethylphenyl)-2-oxidanylidene-ethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanoate Openeye Name: [2-(2,4-dimethylphenyl)-2-oxo-ethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate CAS Name: 2-(4-thieno[2,3-d]pyrimidinylthio)acetic acid [2-(2,4-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,4-dimethylphenyl)-2-oxoethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate Traditional Name: 2-(thieno[2,3-d]pyrimidin-4-ylthio)acetic acid [2-(2,4-dimethylphenyl)-2-keto-ethyl] ester Formula: C18H16N2O3S2 MolecularWeight: 372.46124

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)COC(=O)CSC2=NC=NC3=C2C=CS3)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)COC(=O)CSC2=NC=NC3=C2C=CS3)C

InChI

InChI=1S/C18H16N2O3S2/c1-11-3-4-13(12(2)7-11)15(21)8-23-16(22)9-25-18-14-5-6-24-17(14)19-10-20-18/h3-7,10H,8-9H2,1-2H3