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

Systemtic Name: ethyl 2-[3-(4-bromanyl-5-methyl-pyrazol-1-yl)propanoylamino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[3-(4-bromo-5-methyl-pyrazol-1-yl)propanoylamino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[3-(4-bromo-5-methyl-1-pyrazolyl)-1-oxopropyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-(4-bromo-5-methylpyrazol-1-yl)propanoylamino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[3-(4-bromo-5-methyl-pyrazol-1-yl)propanoylamino]-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester Formula: C16H20BrN3O3S MolecularWeight: 414.3173

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CCN2C(=C(C=N2)Br)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CCN2C(=C(C=N2)Br)C

InChI

InChI=1S/C16H20BrN3O3S/c1-5-23-16(22)14-9(2)11(4)24-15(14)19-13(21)6-7-20-10(3)12(17)8-18-20/h8H,5-7H2,1-4H3,(H,19,21)