[3-(cyanomethyl)-4-oxidanylidene-5-phenyl-thieno[2,3-d]pyrimidin-2-yl]methyl ethanoate

Systemtic Name: [3-(cyanomethyl)-4-oxidanylidene-5-phenyl-thieno[2,3-d]pyrimidin-2-yl]methyl ethanoate Openeye Name: [3-(cyanomethyl)-4-oxo-5-phenyl-thieno[2,3-d]pyrimidin-2-yl]methyl acetate CAS Name: acetic acid [3-(cyanomethyl)-4-oxo-5-phenyl-2-thieno[2,3-d]pyrimidinyl]methyl ester IUPAC Name: [3-(cyanomethyl)-4-oxo-5-phenylthieno[2,3-d]pyrimidin-2-yl]methyl acetate Traditional Name: acetic acid [3-(cyanomethyl)-4-keto-5-phenyl-thieno[2,3-d]pyrimidin-2-yl]methyl ester Formula: C17H13N3O3S MolecularWeight: 339.36842

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)N1CC#N

Isomeric SMILES

CC(=O)OCC1=NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)N1CC#N

InChI

InChI=1S/C17H13N3O3S/c1-11(21)23-9-14-19-16-15(17(22)20(14)8-7-18)13(10-24-16)12-5-3-2-4-6-12/h2-6,10H,8-9H2,1H3