(4-methylcyclohexyl) 2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylethanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)OC(=O)CSC2=NC=NC3=C2C(=CS3)C4=CC=C(C=C4)C

Isomeric SMILES

CC1CCC(CC1)OC(=O)CSC2=NC=NC3=C2C(=CS3)C4=CC=C(C=C4)C

InChI

InChI=1S/C22H24N2O2S2/c1-14-3-7-16(8-4-14)18-11-27-21-20(18)22(24-13-23-21)28-12-19(25)26-17-9-5-15(2)6-10-17/h3-4,7-8,11,13,15,17H,5-6,9-10,12H2,1-2H3