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

Systemtic Name: (phenylmethyl) 2-[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylethanoate Openeye Name: benzyl 2-[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylacetate CAS Name: 2-[[5-(4-methoxyphenyl)-4-thieno[2,3-d]pyrimidinyl]thio]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylacetate Traditional Name: 2-[[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]thio]acetic acid benzyl ester Formula: C22H18N2O3S2 MolecularWeight: 422.51992

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CSC3=C2C(=NC=N3)SCC(=O)OCC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2=CSC3=C2C(=NC=N3)SCC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C22H18N2O3S2/c1-26-17-9-7-16(8-10-17)18-12-28-21-20(18)22(24-14-23-21)29-13-19(25)27-11-15-5-3-2-4-6-15/h2-10,12,14H,11,13H2,1H3