methyl 4-[methyl-(2-phenyl-5-thiophen-2-yl-pyrazol-3-yl)carbonyl-amino]butanoate

Systemtic Name: methyl 4-[methyl-(2-phenyl-5-thiophen-2-yl-pyrazol-3-yl)carbonyl-amino]butanoate Openeye Name: methyl 4-[methyl-[2-phenyl-5-(2-thienyl)pyrazole-3-carbonyl]amino]butanoate CAS Name: 4-[methyl-[oxo-(2-phenyl-5-thiophen-2-yl-3-pyrazolyl)methyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[methyl-(2-phenyl-5-thiophen-2-ylpyrazole-3-carbonyl)amino]butanoate Traditional Name: 4-[methyl-[2-phenyl-5-(2-thienyl)pyrazole-3-carbonyl]amino]butyric acid methyl ester Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC(=O)OC)C(=O)C1=CC(=NN1C2=CC=CC=C2)C3=CC=CS3

Isomeric SMILES

CN(CCCC(=O)OC)C(=O)C1=CC(=NN1C2=CC=CC=C2)C3=CC=CS3

InChI

InChI=1S/C20H21N3O3S/c1-22(12-6-11-19(24)26-2)20(25)17-14-16(18-10-7-13-27-18)21-23(17)15-8-4-3-5-9-15/h3-5,7-10,13-14H,6,11-12H2,1-2H3