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

Systemtic Name: ethyl 4-[[3-(2-chloranylpropanoyloxy)phenyl]amino]-2-methylsulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[3-(2-chloropropanoyloxy)anilino]-2-methylsulfanyl-pyrimidine-5-carboxylate CAS Name: 4-[3-(2-chloro-1-oxopropoxy)anilino]-2-(methylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-(2-chloropropanoyloxy)anilino]-2-methylsulfanylpyrimidine-5-carboxylate Traditional Name: 4-[3-(2-chloropropanoyloxy)anilino]-2-(methylthio)pyrimidine-5-carboxylic acid ethyl ester Formula: C17H18ClN3O4S MolecularWeight: 395.86052

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18ClN3O4S/c1-4-24-16(23)13-9-19-17(26-3)21-14(13)20-11-6-5-7-12(8-11)25-15(22)10(2)18/h5-10H,4H2,1-3H3,(H,19,20,21)