ethyl 6-oxidanylidene-1-(2-oxidanylidene-2-phenylazanyl-ethyl)-2-(phenylmethylsulfanyl)pyrimidine-5-carboxylate

Systemtic Name: ethyl 6-oxidanylidene-1-(2-oxidanylidene-2-phenylazanyl-ethyl)-2-(phenylmethylsulfanyl)pyrimidine-5-carboxylate Openeye Name: ethyl 1-(2-anilino-2-oxo-ethyl)-2-benzylsulfanyl-6-oxo-pyrimidine-5-carboxylate CAS Name: 1-(2-anilino-2-oxoethyl)-6-oxo-2-(phenylmethylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2-anilino-2-oxoethyl)-2-benzylsulfanyl-6-oxopyrimidine-5-carboxylate Traditional Name: 1-(2-anilino-2-keto-ethyl)-2-(benzylthio)-6-keto-pyrimidine-5-carboxylic acid ethyl ester Formula: C22H21N3O4S MolecularWeight: 423.48484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O4S/c1-2-29-21(28)18-13-23-22(30-15-16-9-5-3-6-10-16)25(20(18)27)14-19(26)24-17-11-7-4-8-12-17/h3-13H,2,14-15H2,1H3,(H,24,26)