2-(3-bromanylphenoxy)ethyl 2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanoate

Systemtic Name: 2-(3-bromanylphenoxy)ethyl 2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanoate Openeye Name: 2-(3-bromophenoxy)ethyl 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate CAS Name: 2-(4-thieno[2,3-d]pyrimidinylthio)acetic acid 2-(3-bromophenoxy)ethyl ester IUPAC Name: 2-(3-bromophenoxy)ethyl 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate Traditional Name: 2-(thieno[2,3-d]pyrimidin-4-ylthio)acetic acid 2-(3-bromophenoxy)ethyl ester Formula: C16H13BrN2O3S2 MolecularWeight: 425.32002

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)OCCOC(=O)CSC2=NC=NC3=C2C=CS3

Isomeric SMILES

C1=CC(=CC(=C1)Br)OCCOC(=O)CSC2=NC=NC3=C2C=CS3

InChI

InChI=1S/C16H13BrN2O3S2/c17-11-2-1-3-12(8-11)21-5-6-22-14(20)9-24-16-13-4-7-23-15(13)18-10-19-16/h1-4,7-8,10H,5-6,9H2