(3-cyanophenyl)methyl 2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanoate

Systemtic Name: (3-cyanophenyl)methyl 2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanoate Openeye Name: (3-cyanophenyl)methyl 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate CAS Name: 2-(4-thieno[2,3-d]pyrimidinylthio)acetic acid (3-cyanophenyl)methyl ester IUPAC Name: (3-cyanophenyl)methyl 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate Traditional Name: 2-(thieno[2,3-d]pyrimidin-4-ylthio)acetic acid (3-cyanobenzyl) ester Formula: C16H11N3O2S2 MolecularWeight: 341.40744

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)COC(=O)CSC2=NC=NC3=C2C=CS3)C#N

Isomeric SMILES

C1=CC(=CC(=C1)COC(=O)CSC2=NC=NC3=C2C=CS3)C#N

InChI

InChI=1S/C16H11N3O2S2/c17-7-11-2-1-3-12(6-11)8-21-14(20)9-23-16-13-4-5-22-15(13)18-10-19-16/h1-6,10H,8-9H2