ethyl 4-[2-[(3,4-dichlorophenyl)carbonylamino]phenyl]sulfanyl-2-methylsulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[2-[(3,4-dichlorophenyl)carbonylamino]phenyl]sulfanyl-2-methylsulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[2-[(3,4-dichlorobenzoyl)amino]phenyl]sulfanyl-2-methylsulfanyl-pyrimidine-5-carboxylate CAS Name: 4-[[2-[[(3,4-dichlorophenyl)-oxomethyl]amino]phenyl]thio]-2-(methylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[(3,4-dichlorobenzoyl)amino]phenyl]sulfanyl-2-methylsulfanylpyrimidine-5-carboxylate Traditional Name: 4-[[2-[(3,4-dichlorobenzoyl)amino]phenyl]thio]-2-(methylthio)pyrimidine-5-carboxylic acid ethyl ester Formula: C21H17Cl2N3O3S2 MolecularWeight: 494.41398

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1SC2=CC=CC=C2NC(=O)C3=CC(=C(C=C3)Cl)Cl)SC

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1SC2=CC=CC=C2NC(=O)C3=CC(=C(C=C3)Cl)Cl)SC

InChI

InChI=1S/C21H17Cl2N3O3S2/c1-3-29-20(28)13-11-24-21(30-2)26-19(13)31-17-7-5-4-6-16(17)25-18(27)12-8-9-14(22)15(23)10-12/h4-11H,3H2,1-2H3,(H,25,27)