ethyl (2S)-2-[2-phenyl-6-(phenylsulfanylmethyl)pyrimidin-4-yl]sulfanylpropanoate

Systemtic Name: ethyl (2S)-2-[2-phenyl-6-(phenylsulfanylmethyl)pyrimidin-4-yl]sulfanylpropanoate Openeye Name: ethyl (2S)-2-[2-phenyl-6-(phenylsulfanylmethyl)pyrimidin-4-yl]sulfanylpropanoate CAS Name: (2S)-2-[[2-phenyl-6-[(phenylthio)methyl]-4-pyrimidinyl]thio]propanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-[2-phenyl-6-(phenylsulfanylmethyl)pyrimidin-4-yl]sulfanylpropanoate Traditional Name: (2S)-2-[[2-phenyl-6-[(phenylthio)methyl]pyrimidin-4-yl]thio]propionic acid ethyl ester Formula: C22H22N2O2S2 MolecularWeight: 410.55228

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)SC1=NC(=NC(=C1)CSC2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@H](C)SC1=NC(=NC(=C1)CSC2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C22H22N2O2S2/c1-3-26-22(25)16(2)28-20-14-18(15-27-19-12-8-5-9-13-19)23-21(24-20)17-10-6-4-7-11-17/h4-14,16H,3,15H2,1-2H3/t16-/m0/s1