ethyl (E)-3-[(7-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)carbonylamino]but-2-enoate

Systemtic Name: ethyl (E)-3-[(7-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)carbonylamino]but-2-enoate Openeye Name: ethyl (E)-3-[[7-(2-thienyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]but-2-enoate CAS Name: (E)-3-[[oxo-(7-thiophen-2-yl-3-pyrazolo[1,5-a]pyrimidinyl)methyl]amino]-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[(7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]but-2-enoate Traditional Name: (E)-3-[[7-(2-thienyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]but-2-enoic acid ethyl ester Formula: C17H16N4O3S MolecularWeight: 356.39894

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=C(C)NC(=O)C1=C2N=CC=C(N2N=C1)C3=CC=CS3

Isomeric SMILES

CCOC(=O)/C=C(\C)/NC(=O)C1=C2N=CC=C(N2N=C1)C3=CC=CS3

InChI

InChI=1S/C17H16N4O3S/c1-3-24-15(22)9-11(2)20-17(23)12-10-19-21-13(6-7-18-16(12)21)14-5-4-8-25-14/h4-10H,3H2,1-2H3,(H,20,23)/b11-9+