(4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 2-(4-cyanophenoxy)ethanoate

Systemtic Name: (4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 2-(4-cyanophenoxy)ethanoate Openeye Name: (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 2-(4-cyanophenoxy)acetate CAS Name: 2-(4-cyanophenoxy)acetic acid (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl ester IUPAC Name: (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 2-(4-cyanophenoxy)acetate Traditional Name: 2-(4-cyanophenoxy)acetic acid (4-keto-1H-thieno[3,2-d]pyrimidin-2-yl)methyl ester Formula: C16H11N3O4S MolecularWeight: 341.34124

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)OCC(=O)OCC2=NC(=O)C3=C(N2)C=CS3

Isomeric SMILES

C1=CC(=CC=C1C#N)OCC(=O)OCC2=NC(=O)C3=C(N2)C=CS3

InChI

InChI=1S/C16H11N3O4S/c17-7-10-1-3-11(4-2-10)22-9-14(20)23-8-13-18-12-5-6-24-15(12)16(21)19-13/h1-6H,8-9H2,(H,18,19,21)