methyl 2-[2-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)propanoylamino]-5-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[2-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)propanoylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[2-(4-bromo-3,5-dimethyl-pyrazol-1-yl)propanoylamino]-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[2-(4-bromo-3,5-dimethyl-1-pyrazolyl)-1-oxopropyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)propanoylamino]-5-methylthiophene-3-carboxylate Traditional Name: 2-[2-(4-bromo-3,5-dimethyl-pyrazol-1-yl)propanoylamino]-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C15H18BrN3O3S MolecularWeight: 400.29072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=O)C(C)N2C(=C(C(=N2)C)Br)C)C(=O)OC

Isomeric SMILES

CC1=CC(=C(S1)NC(=O)C(C)N2C(=C(C(=N2)C)Br)C)C(=O)OC

InChI

InChI=1S/C15H18BrN3O3S/c1-7-6-11(15(21)22-5)14(23-7)17-13(20)10(4)19-9(3)12(16)8(2)18-19/h6,10H,1-5H3,(H,17,20)