ethyl 4-[2-[(3-chlorophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-2-phenyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[2-[(3-chlorophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-2-phenyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[2-(3-chloroanilino)-2-oxo-ethyl]sulfanyl-6-methyl-2-phenyl-pyrimidine-5-carboxylate CAS Name: 4-[[2-(3-chloroanilino)-2-oxoethyl]thio]-6-methyl-2-phenyl-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(3-chloroanilino)-2-oxoethyl]sulfanyl-6-methyl-2-phenylpyrimidine-5-carboxylate Traditional Name: 4-[[2-(3-chloroanilino)-2-keto-ethyl]thio]-6-methyl-2-phenyl-pyrimidine-5-carboxylic acid ethyl ester Formula: C22H20ClN3O3S MolecularWeight: 441.9305

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(N=C1SCC(=O)NC2=CC(=CC=C2)Cl)C3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(N=C1SCC(=O)NC2=CC(=CC=C2)Cl)C3=CC=CC=C3)C

InChI

InChI=1S/C22H20ClN3O3S/c1-3-29-22(28)19-14(2)24-20(15-8-5-4-6-9-15)26-21(19)30-13-18(27)25-17-11-7-10-16(23)12-17/h4-12H,3,13H2,1-2H3,(H,25,27)