methyl 4-[[1-(2-cyanoethyl)-3-thiophen-2-yl-pyrazol-4-yl]carbonylamino]benzoate

Systemtic Name: methyl 4-[[1-(2-cyanoethyl)-3-thiophen-2-yl-pyrazol-4-yl]carbonylamino]benzoate Openeye Name: methyl 4-[[1-(2-cyanoethyl)-3-(2-thienyl)pyrazole-4-carbonyl]amino]benzoate CAS Name: 4-[[[1-(2-cyanoethyl)-3-thiophen-2-yl-4-pyrazolyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[1-(2-cyanoethyl)-3-thiophen-2-ylpyrazole-4-carbonyl]amino]benzoate Traditional Name: 4-[[1-(2-cyanoethyl)-3-(2-thienyl)pyrazole-4-carbonyl]amino]benzoic acid methyl ester Formula: C19H16N4O3S MolecularWeight: 380.42034

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)C2=CN(N=C2C3=CC=CS3)CCC#N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)C2=CN(N=C2C3=CC=CS3)CCC#N

InChI

InChI=1S/C19H16N4O3S/c1-26-19(25)13-5-7-14(8-6-13)21-18(24)15-12-23(10-3-9-20)22-17(15)16-4-2-11-27-16/h2,4-8,11-12H,3,10H2,1H3,(H,21,24)