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

Systemtic Name: ethyl 1-(diphenylmethyl)-6-oxidanylidene-2-phenethylsulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 1-benzhydryl-6-oxo-2-phenethylsulfanyl-pyrimidine-5-carboxylate CAS Name: 1-(diphenylmethyl)-6-oxo-2-(phenethylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-benzhydryl-6-oxo-2-phenethylsulfanylpyrimidine-5-carboxylate Traditional Name: 1-benzhydryl-6-keto-2-(phenethylthio)pyrimidine-5-carboxylic acid ethyl ester Formula: C28H26N2O3S MolecularWeight: 470.58264

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N(C1=O)C(C2=CC=CC=C2)C3=CC=CC=C3)SCCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CN=C(N(C1=O)C(C2=CC=CC=C2)C3=CC=CC=C3)SCCC4=CC=CC=C4

InChI

InChI=1S/C28H26N2O3S/c1-2-33-27(32)24-20-29-28(34-19-18-21-12-6-3-7-13-21)30(26(24)31)25(22-14-8-4-9-15-22)23-16-10-5-11-17-23/h3-17,20,25H,2,18-19H2,1H3