ethyl 2-methylsulfanyl-4-[[3-(2-thiophen-2-ylethanoyloxy)phenyl]amino]pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-methylsulfanyl-4-[[3-(2-thiophen-2-ylethanoyloxy)phenyl]amino]pyrimidine-5-carboxylate Openeye Name: ethyl 2-methylsulfanyl-4-[3-[2-(2-thienyl)acetyl]oxyanilino]pyrimidine-5-carboxylate CAS Name: 2-(methylthio)-4-[3-(1-oxo-2-thiophen-2-ylethoxy)anilino]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-methylsulfanyl-4-[3-(2-thiophen-2-ylacetyl)oxyanilino]pyrimidine-5-carboxylate Traditional Name: 2-(methylthio)-4-[3-[2-(2-thienyl)acetyl]oxyanilino]pyrimidine-5-carboxylic acid ethyl ester Formula: C20H19N3O4S2 MolecularWeight: 429.51256

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1NC2=CC(=CC=C2)OC(=O)CC3=CC=CS3)SC

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1NC2=CC(=CC=C2)OC(=O)CC3=CC=CS3)SC

InChI

InChI=1S/C20H19N3O4S2/c1-3-26-19(25)16-12-21-20(28-2)23-18(16)22-13-6-4-7-14(10-13)27-17(24)11-15-8-5-9-29-15/h4-10,12H,3,11H2,1-2H3,(H,21,22,23)