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

Systemtic Name: ethyl 4-[[3-[(3-chlorophenyl)carbamoyloxy]phenyl]amino]-2-methylsulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[3-[(3-chlorophenyl)carbamoyloxy]anilino]-2-methylsulfanyl-pyrimidine-5-carboxylate CAS Name: 4-[3-[(3-chloroanilino)-oxomethoxy]anilino]-2-(methylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-[(3-chlorophenyl)carbamoyloxy]anilino]-2-methylsulfanylpyrimidine-5-carboxylate Traditional Name: 4-[3-[(3-chlorophenyl)carbamoyloxy]anilino]-2-(methylthio)pyrimidine-5-carboxylic acid ethyl ester Formula: C21H19ClN4O4S MolecularWeight: 458.91796

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1NC2=CC(=CC=C2)OC(=O)NC3=CC(=CC=C3)Cl)SC

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1NC2=CC(=CC=C2)OC(=O)NC3=CC(=CC=C3)Cl)SC

InChI

InChI=1S/C21H19ClN4O4S/c1-3-29-19(27)17-12-23-20(31-2)26-18(17)24-15-8-5-9-16(11-15)30-21(28)25-14-7-4-6-13(22)10-14/h4-12H,3H2,1-2H3,(H,25,28)(H,23,24,26)