ethyl (2S)-2-[(5-cyano-4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]propanoate

Systemtic Name: ethyl (2S)-2-[(5-cyano-4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]propanoate Openeye Name: ethyl (2S)-2-[(5-cyano-4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]propanoate CAS Name: (2S)-2-[(5-cyano-4-oxo-6-phenyl-1H-pyrimidin-2-yl)thio]propanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-[(5-cyano-4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]propanoate Traditional Name: (2S)-2-[(5-cyano-4-keto-6-phenyl-1H-pyrimidin-2-yl)thio]propionic acid ethyl ester Formula: C16H15N3O3S MolecularWeight: 329.3736

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)SC1=NC(=O)C(=C(N1)C2=CC=CC=C2)C#N

Isomeric SMILES

CCOC(=O)[C@H](C)SC1=NC(=O)C(=C(N1)C2=CC=CC=C2)C#N

InChI

InChI=1S/C16H15N3O3S/c1-3-22-15(21)10(2)23-16-18-13(11-7-5-4-6-8-11)12(9-17)14(20)19-16/h4-8,10H,3H2,1-2H3,(H,18,19,20)/t10-/m0/s1