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

Systemtic Name: (phenylmethyl) 2-[5-(4-bromophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylethanoate Openeye Name: benzyl 2-[5-(4-bromophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylacetate CAS Name: 2-[[5-(4-bromophenyl)-4-thieno[2,3-d]pyrimidinyl]thio]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[5-(4-bromophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylacetate Traditional Name: 2-[[5-(4-bromophenyl)thieno[2,3-d]pyrimidin-4-yl]thio]acetic acid benzyl ester Formula: C21H15BrN2O2S2 MolecularWeight: 471.39

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CSC2=NC=NC3=C2C(=CS3)C4=CC=C(C=C4)Br

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CSC2=NC=NC3=C2C(=CS3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C21H15BrN2O2S2/c22-16-8-6-15(7-9-16)17-11-27-20-19(17)21(24-13-23-20)28-12-18(25)26-10-14-4-2-1-3-5-14/h1-9,11,13H,10,12H2