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

Systemtic Name: methyl 4-[methyl-[1-(phenylmethyl)-3-thiophen-2-yl-pyrazol-4-yl]carbonyl-amino]butanoate Openeye Name: methyl 4-[[1-benzyl-3-(2-thienyl)pyrazole-4-carbonyl]-methyl-amino]butanoate CAS Name: 4-[methyl-[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)-methylamino]butanoate Traditional Name: 4-[[1-benzyl-3-(2-thienyl)pyrazole-4-carbonyl]-methyl-amino]butyric acid methyl ester Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC(=O)OC)C(=O)C1=CN(N=C1C2=CC=CS2)CC3=CC=CC=C3

Isomeric SMILES

CN(CCCC(=O)OC)C(=O)C1=CN(N=C1C2=CC=CS2)CC3=CC=CC=C3

InChI

InChI=1S/C21H23N3O3S/c1-23(12-6-11-19(25)27-2)21(26)17-15-24(14-16-8-4-3-5-9-16)22-20(17)18-10-7-13-28-18/h3-5,7-10,13,15H,6,11-12,14H2,1-2H3