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

Systemtic Name: ethyl 6-oxidanylidene-1-(2-oxidanylidene-2-phenylazanyl-ethyl)-2-phenethylsulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 1-(2-anilino-2-oxo-ethyl)-6-oxo-2-phenethylsulfanyl-pyrimidine-5-carboxylate CAS Name: 1-(2-anilino-2-oxoethyl)-6-oxo-2-(phenethylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2-anilino-2-oxoethyl)-6-oxo-2-phenethylsulfanylpyrimidine-5-carboxylate Traditional Name: 1-(2-anilino-2-keto-ethyl)-6-keto-2-(phenethylthio)pyrimidine-5-carboxylic acid ethyl ester Formula: C23H23N3O4S MolecularWeight: 437.51142

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23N3O4S/c1-2-30-22(29)19-15-24-23(31-14-13-17-9-5-3-6-10-17)26(21(19)28)16-20(27)25-18-11-7-4-8-12-18/h3-12,15H,2,13-14,16H2,1H3,(H,25,27)