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

Systemtic Name: methyl 3-[[1-(phenylmethyl)-3-thiophen-2-yl-pyrazol-4-yl]carbonylamino]benzoate Openeye Name: methyl 3-[[1-benzyl-3-(2-thienyl)pyrazole-4-carbonyl]amino]benzoate CAS Name: 3-[[oxo-[1-(phenylmethyl)-3-thiophen-2-yl-4-pyrazolyl]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[(1-benzyl-3-thiophen-2-ylpyrazole-4-carbonyl)amino]benzoate Traditional Name: 3-[[1-benzyl-3-(2-thienyl)pyrazole-4-carbonyl]amino]benzoic acid methyl ester Formula: C23H19N3O3S MolecularWeight: 417.48026

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC(=O)C2=CN(N=C2C3=CC=CS3)CC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=O)C2=CN(N=C2C3=CC=CS3)CC4=CC=CC=C4

InChI

InChI=1S/C23H19N3O3S/c1-29-23(28)17-9-5-10-18(13-17)24-22(27)19-15-26(14-16-7-3-2-4-8-16)25-21(19)20-11-6-12-30-20/h2-13,15H,14H2,1H3,(H,24,27)