cyclohexyl 2-[5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylethanoate

Systemtic Name: cyclohexyl 2-[5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylethanoate Openeye Name: cyclohexyl 2-[5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylacetate CAS Name: 2-[[5-(3,4-dimethylphenyl)-4-thieno[2,3-d]pyrimidinyl]thio]acetic acid cyclohexyl ester IUPAC Name: cyclohexyl 2-[5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylacetate Traditional Name: 2-[[5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]thio]acetic acid cyclohexyl ester Formula: C22H24N2O2S2 MolecularWeight: 412.56816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CSC3=C2C(=NC=N3)SCC(=O)OC4CCCCC4)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CSC3=C2C(=NC=N3)SCC(=O)OC4CCCCC4)C

InChI

InChI=1S/C22H24N2O2S2/c1-14-8-9-16(10-15(14)2)18-11-27-21-20(18)22(24-13-23-21)28-12-19(25)26-17-6-4-3-5-7-17/h8-11,13,17H,3-7,12H2,1-2H3