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

Systemtic Name: ethyl 6-oxidanylidene-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)-2-(phenylmethylsulfanyl)pyrimidine-5-carboxylate Openeye Name: ethyl 2-benzylsulfanyl-6-oxo-1-(2-oxo-2-pyrrolidin-1-yl-ethyl)pyrimidine-5-carboxylate CAS Name: 6-oxo-1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-2-(phenylmethylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-benzylsulfanyl-6-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidine-5-carboxylate Traditional Name: 2-(benzylthio)-6-keto-1-(2-keto-2-pyrrolidino-ethyl)pyrimidine-5-carboxylic acid ethyl ester Formula: C20H23N3O4S MolecularWeight: 401.47932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N(C1=O)CC(=O)N2CCCC2)SCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CN=C(N(C1=O)CC(=O)N2CCCC2)SCC3=CC=CC=C3

InChI

InChI=1S/C20H23N3O4S/c1-2-27-19(26)16-12-21-20(28-14-15-8-4-3-5-9-15)23(18(16)25)13-17(24)22-10-6-7-11-22/h3-5,8-9,12H,2,6-7,10-11,13-14H2,1H3