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

Systemtic Name: [3-(cyanomethyl)-4-oxidanylidene-5-phenyl-thieno[2,3-d]pyrimidin-2-yl]methyl 2-methoxyethanoate Openeye Name: [3-(cyanomethyl)-4-oxo-5-phenyl-thieno[2,3-d]pyrimidin-2-yl]methyl 2-methoxyacetate CAS Name: 2-methoxyacetic 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 2-methoxyacetate Traditional Name: 2-methoxyacetic acid [3-(cyanomethyl)-4-keto-5-phenyl-thieno[2,3-d]pyrimidin-2-yl]methyl ester Formula: C18H15N3O4S MolecularWeight: 369.3944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15N3O4S/c1-24-10-15(22)25-9-14-20-17-16(18(23)21(14)8-7-19)13(11-26-17)12-5-3-2-4-6-12/h2-6,11H,8-10H2,1H3