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

Systemtic Name: methyl 4-[[1-(phenylmethyl)-3-thiophen-2-yl-pyrazol-4-yl]carbonylamino]butanoate Openeye Name: methyl 4-[[1-benzyl-3-(2-thienyl)pyrazole-4-carbonyl]amino]butanoate CAS Name: 4-[[oxo-[1-(phenylmethyl)-3-thiophen-2-yl-4-pyrazolyl]methyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[(1-benzyl-3-thiophen-2-ylpyrazole-4-carbonyl)amino]butanoate Traditional Name: 4-[[1-benzyl-3-(2-thienyl)pyrazole-4-carbonyl]amino]butyric acid methyl ester Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=O)C1=CN(N=C1C2=CC=CS2)CC3=CC=CC=C3

Isomeric SMILES

COC(=O)CCCNC(=O)C1=CN(N=C1C2=CC=CS2)CC3=CC=CC=C3

InChI

InChI=1S/C20H21N3O3S/c1-26-18(24)10-5-11-21-20(25)16-14-23(13-15-7-3-2-4-8-15)22-19(16)17-9-6-12-27-17/h2-4,6-9,12,14H,5,10-11,13H2,1H3,(H,21,25)