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

Systemtic Name: ethyl 2-[2-(4-bromanyl-3-methyl-pyrazol-1-yl)propanoylamino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[2-(4-bromo-3-methyl-pyrazol-1-yl)propanoylamino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[2-(4-bromo-3-methyl-1-pyrazolyl)-1-oxopropyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(4-bromo-3-methylpyrazol-1-yl)propanoylamino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[2-(4-bromo-3-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)C(C)N2C=C(C(=N2)C)Br

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C(C)N2C=C(C(=N2)C)Br

InChI

InChI=1S/C16H20BrN3O3S/c1-6-23-16(22)13-8(2)11(5)24-15(13)18-14(21)10(4)20-7-12(17)9(3)19-20/h7,10H,6H2,1-5H3,(H,18,21)