methyl 4-oxidanylidene-4-[[3-(3-thiophen-2-ylcarbonylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]amino]butanoate

Systemtic Name: methyl 4-oxidanylidene-4-[[3-(3-thiophen-2-ylcarbonylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]amino]butanoate Openeye Name: methyl 4-oxo-4-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]anilino]butanoate CAS Name: 4-oxo-4-[3-[3-[oxo(thiophen-2-yl)methyl]-7-pyrazolo[1,5-a]pyrimidinyl]anilino]butanoic acid methyl ester IUPAC Name: methyl 4-oxo-4-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]anilino]butanoate Traditional Name: 4-keto-4-[3-[3-(2-thenoyl)pyrazolo[1,5-a]pyrimidin-7-yl]anilino]butyric acid methyl ester Formula: C22H18N4O4S MolecularWeight: 434.46772

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(=O)NC1=CC=CC(=C1)C2=CC=NC3=C(C=NN23)C(=O)C4=CC=CS4

Isomeric SMILES

COC(=O)CCC(=O)NC1=CC=CC(=C1)C2=CC=NC3=C(C=NN23)C(=O)C4=CC=CS4

InChI

InChI=1S/C22H18N4O4S/c1-30-20(28)8-7-19(27)25-15-5-2-4-14(12-15)17-9-10-23-22-16(13-24-26(17)22)21(29)18-6-3-11-31-18/h2-6,9-13H,7-8H2,1H3,(H,25,27)