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

Systemtic Name: (phenylmethyl) 2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylethanoate Openeye Name: benzyl 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 (phenylmethyl) ester IUPAC Name: benzyl 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 benzyl ester Formula: C22H18N2O2S2 MolecularWeight: 406.52052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC3=C2C(=NC=N3)SCC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC3=C2C(=NC=N3)SCC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C22H18N2O2S2/c1-15-7-9-17(10-8-15)18-12-27-21-20(18)22(24-14-23-21)28-13-19(25)26-11-16-5-3-2-4-6-16/h2-10,12,14H,11,13H2,1H3