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

Systemtic Name: ethyl 2-[3-(4-bromanyl-3-methyl-pyrazol-1-yl)propanoylamino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[3-(4-bromo-3-methyl-pyrazol-1-yl)propanoylamino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[3-(4-bromo-3-methyl-1-pyrazolyl)-1-oxopropyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-(4-bromo-3-methylpyrazol-1-yl)propanoylamino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[3-(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)CCN2C=C(C(=N2)C)Br

Isomeric SMILES

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

InChI

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