ethyl 4-(2,5-dimethyl-3-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)sulfanyl-3-oxidanylidene-butanoate

Systemtic Name: ethyl 4-(2,5-dimethyl-3-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)sulfanyl-3-oxidanylidene-butanoate Openeye Name: ethyl 4-(2,5-dimethyl-3-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)sulfanyl-3-oxo-butanoate CAS Name: 4-[(2,5-dimethyl-3-phenyl-7-pyrazolo[1,5-a]pyrimidinyl)thio]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-(2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)sulfanyl-3-oxobutanoate Traditional Name: 4-[(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)CC(=O)CSC1=CC(=NC2=C(C(=NN12)C)C3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)CC(=O)CSC1=CC(=NC2=C(C(=NN12)C)C3=CC=CC=C3)C

InChI

InChI=1S/C20H21N3O3S/c1-4-26-18(25)11-16(24)12-27-17-10-13(2)21-20-19(14(3)22-23(17)20)15-8-6-5-7-9-15/h5-10H,4,11-12H2,1-3H3