ethyl 1-[2-[(3,4-dichlorophenyl)amino]-2-oxidanylidene-ethyl]-6-oxidanylidene-2-phenethylsulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 1-[2-[(3,4-dichlorophenyl)amino]-2-oxidanylidene-ethyl]-6-oxidanylidene-2-phenethylsulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 1-[2-(3,4-dichloroanilino)-2-oxo-ethyl]-6-oxo-2-phenethylsulfanyl-pyrimidine-5-carboxylate CAS Name: 1-[2-(3,4-dichloroanilino)-2-oxoethyl]-6-oxo-2-(phenethylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(3,4-dichloroanilino)-2-oxoethyl]-6-oxo-2-phenethylsulfanylpyrimidine-5-carboxylate Traditional Name: 1-[2-(3,4-dichloroanilino)-2-keto-ethyl]-6-keto-2-(phenethylthio)pyrimidine-5-carboxylic acid ethyl ester Formula: C23H21Cl2N3O4S MolecularWeight: 506.40154

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N(C1=O)CC(=O)NC2=CC(=C(C=C2)Cl)Cl)SCCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CN=C(N(C1=O)CC(=O)NC2=CC(=C(C=C2)Cl)Cl)SCCC3=CC=CC=C3

InChI

InChI=1S/C23H21Cl2N3O4S/c1-2-32-22(31)17-13-26-23(33-11-10-15-6-4-3-5-7-15)28(21(17)30)14-20(29)27-16-8-9-18(24)19(25)12-16/h3-9,12-13H,2,10-11,14H2,1H3,(H,27,29)