methyl 4-methyl-2-[(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)carbonylamino]pentanoate

Systemtic Name: methyl 4-methyl-2-[(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)carbonylamino]pentanoate Openeye Name: methyl 4-methyl-2-[[1-phenyl-3-(2-thienyl)pyrazole-4-carbonyl]amino]pentanoate CAS Name: 4-methyl-2-[[oxo-(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)methyl]amino]pentanoic acid methyl ester IUPAC Name: methyl 4-methyl-2-[(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)amino]pentanoate Traditional Name: 4-methyl-2-[[1-phenyl-3-(2-thienyl)pyrazole-4-carbonyl]amino]valeric acid methyl ester Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)NC(=O)C1=CN(N=C1C2=CC=CS2)C3=CC=CC=C3

Isomeric SMILES

CC(C)CC(C(=O)OC)NC(=O)C1=CN(N=C1C2=CC=CS2)C3=CC=CC=C3

InChI

InChI=1S/C21H23N3O3S/c1-14(2)12-17(21(26)27-3)22-20(25)16-13-24(15-8-5-4-6-9-15)23-19(16)18-10-7-11-28-18/h4-11,13-14,17H,12H2,1-3H3,(H,22,25)