methyl 2-[5-cyano-3-[(4-methoxyphenyl)methyl]-2,4-bis(oxidanylidene)pyrimidin-1-yl]thiophene-3-carboxylate

Systemtic Name: methyl 2-[5-cyano-3-[(4-methoxyphenyl)methyl]-2,4-bis(oxidanylidene)pyrimidin-1-yl]thiophene-3-carboxylate Openeye Name: methyl 2-[5-cyano-3-[(4-methoxyphenyl)methyl]-2,4-dioxo-pyrimidin-1-yl]thiophene-3-carboxylate CAS Name: 2-[5-cyano-3-[(4-methoxyphenyl)methyl]-2,4-dioxo-1-pyrimidinyl]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[5-cyano-3-[(4-methoxyphenyl)methyl]-2,4-dioxopyrimidin-1-yl]thiophene-3-carboxylate Traditional Name: 2-(5-cyano-2,4-diketo-3-p-anisyl-pyrimidin-1-yl)thiophene-3-carboxylic acid methyl ester Formula: C19H15N3O5S MolecularWeight: 397.4045

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2C(=O)C(=CN(C2=O)C3=C(C=CS3)C(=O)OC)C#N

Isomeric SMILES

COC1=CC=C(C=C1)CN2C(=O)C(=CN(C2=O)C3=C(C=CS3)C(=O)OC)C#N

InChI

InChI=1S/C19H15N3O5S/c1-26-14-5-3-12(4-6-14)10-21-16(23)13(9-20)11-22(19(21)25)17-15(7-8-28-17)18(24)27-2/h3-8,11H,10H2,1-2H3