ethyl 1-[2-[(4-chloranyl-2-methoxy-5-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-6-oxidanylidene-2-(phenylmethylsulfanyl)pyrimidine-5-carboxylate

Systemtic Name: ethyl 1-[2-[(4-chloranyl-2-methoxy-5-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-6-oxidanylidene-2-(phenylmethylsulfanyl)pyrimidine-5-carboxylate Openeye Name: ethyl 2-benzylsulfanyl-1-[2-(4-chloro-2-methoxy-5-methyl-anilino)-2-oxo-ethyl]-6-oxo-pyrimidine-5-carboxylate CAS Name: 1-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]-6-oxo-2-(phenylmethylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-benzylsulfanyl-1-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]-6-oxopyrimidine-5-carboxylate Traditional Name: 2-(benzylthio)-1-[2-(4-chloro-2-methoxy-5-methyl-anilino)-2-keto-ethyl]-6-keto-pyrimidine-5-carboxylic acid ethyl ester Formula: C24H24ClN3O5S MolecularWeight: 501.98246

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N(C1=O)CC(=O)NC2=C(C=C(C(=C2)C)Cl)OC)SCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CN=C(N(C1=O)CC(=O)NC2=C(C=C(C(=C2)C)Cl)OC)SCC3=CC=CC=C3

InChI

InChI=1S/C24H24ClN3O5S/c1-4-33-23(31)17-12-26-24(34-14-16-8-6-5-7-9-16)28(22(17)30)13-21(29)27-19-10-15(2)18(25)11-20(19)32-3/h5-12H,4,13-14H2,1-3H3,(H,27,29)