ethyl 1-[2-[(3-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-6-oxidanylidene-2-(phenylmethylsulfanyl)pyrimidine-5-carboxylate

Systemtic Name: ethyl 1-[2-[(3-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-6-oxidanylidene-2-(phenylmethylsulfanyl)pyrimidine-5-carboxylate Openeye Name: ethyl 2-benzylsulfanyl-1-[2-(3-chloro-2-methyl-anilino)-2-oxo-ethyl]-6-oxo-pyrimidine-5-carboxylate CAS Name: 1-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-6-oxo-2-(phenylmethylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-benzylsulfanyl-1-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-6-oxopyrimidine-5-carboxylate Traditional Name: 2-(benzylthio)-1-[2-(3-chloro-2-methyl-anilino)-2-keto-ethyl]-6-keto-pyrimidine-5-carboxylic acid ethyl ester Formula: C23H22ClN3O4S MolecularWeight: 471.95648

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22ClN3O4S/c1-3-31-22(30)17-12-25-23(32-14-16-8-5-4-6-9-16)27(21(17)29)13-20(28)26-19-11-7-10-18(24)15(19)2/h4-12H,3,13-14H2,1-2H3,(H,26,28)