methyl 3-[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)ethanoylamino]-3-thiophen-2-yl-propanoate

Systemtic Name: methyl 3-[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)ethanoylamino]-3-thiophen-2-yl-propanoate Openeye Name: methyl 3-[[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acetyl]amino]-3-(2-thienyl)propanoate CAS Name: 3-[[2-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-1-oxoethyl]amino]-3-thiophen-2-ylpropanoic acid methyl ester IUPAC Name: methyl 3-[[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]amino]-3-thiophen-2-ylpropanoate Traditional Name: 3-[[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acetyl]amino]-3-(2-thienyl)propionic acid methyl ester Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CC(=O)NC(CC(=O)OC)C3=CC=CS3

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CC(=O)NC(CC(=O)OC)C3=CC=CS3

InChI

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