(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl 3-acetamido-3-thiophen-2-yl-propanoate

Systemtic Name: (5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl 3-acetamido-3-thiophen-2-yl-propanoate Openeye Name: (5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl 3-acetamido-3-(2-thienyl)propanoate CAS Name: 3-acetamido-3-thiophen-2-ylpropanoic acid (5-chloro-3-methyl-1-phenyl-4-pyrazolyl)methyl ester IUPAC Name: (5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl 3-acetamido-3-thiophen-2-ylpropanoate Traditional Name: 3-acetamido-3-(2-thienyl)propionic acid (5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl ester Formula: C20H20ClN3O3S MolecularWeight: 417.9091

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1COC(=O)CC(C2=CC=CS2)NC(=O)C)Cl)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1COC(=O)CC(C2=CC=CS2)NC(=O)C)Cl)C3=CC=CC=C3

InChI

InChI=1S/C20H20ClN3O3S/c1-13-16(20(21)24(23-13)15-7-4-3-5-8-15)12-27-19(26)11-17(22-14(2)25)18-9-6-10-28-18/h3-10,17H,11-12H2,1-2H3,(H,22,25)