methyl 3-[3-(1-phenylpyrazol-4-yl)propanoylamino]-3-thiophen-2-yl-propanoate

Systemtic Name: methyl 3-[3-(1-phenylpyrazol-4-yl)propanoylamino]-3-thiophen-2-yl-propanoate Openeye Name: methyl 3-[3-(1-phenylpyrazol-4-yl)propanoylamino]-3-(2-thienyl)propanoate CAS Name: 3-[[1-oxo-3-(1-phenyl-4-pyrazolyl)propyl]amino]-3-thiophen-2-ylpropanoic acid methyl ester IUPAC Name: methyl 3-[3-(1-phenylpyrazol-4-yl)propanoylamino]-3-thiophen-2-ylpropanoate Traditional Name: 3-[3-(1-phenylpyrazol-4-yl)propanoylamino]-3-(2-thienyl)propionic acid methyl ester Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C1=CC=CS1)NC(=O)CCC2=CN(N=C2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)CC(C1=CC=CS1)NC(=O)CCC2=CN(N=C2)C3=CC=CC=C3

InChI

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