ethyl (2S)-2-(2,5-dimethyl-3-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)sulfanyl-3-oxidanylidene-butanoate

Systemtic Name: ethyl (2S)-2-(2,5-dimethyl-3-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)sulfanyl-3-oxidanylidene-butanoate Openeye Name: ethyl (2S)-2-(2,5-dimethyl-3-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)sulfanyl-3-oxo-butanoate CAS Name: (2S)-2-[(2,5-dimethyl-3-phenyl-7-pyrazolo[1,5-a]pyrimidinyl)thio]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-(2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)sulfanyl-3-oxobutanoate Traditional Name: (2S)-2-[(2,5-dimethyl-3-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)thio]-3-keto-butyric acid ethyl ester Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)C)SC1=CC(=NC2=C(C(=NN12)C)C3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)[C@H](C(=O)C)SC1=CC(=NC2=C(C(=NN12)C)C3=CC=CC=C3)C

InChI

InChI=1S/C20H21N3O3S/c1-5-26-20(25)18(14(4)24)27-16-11-12(2)21-19-17(13(3)22-23(16)19)15-9-7-6-8-10-15/h6-11,18H,5H2,1-4H3/t18-/m0/s1