ethyl 2-[[3-(4-bromanylpyrazol-1-yl)-2-methyl-propanoyl]amino]-5-ethanoyl-4-methyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[3-(4-bromanylpyrazol-1-yl)-2-methyl-propanoyl]amino]-5-ethanoyl-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 5-acetyl-2-[[3-(4-bromopyrazol-1-yl)-2-methyl-propanoyl]amino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-acetyl-2-[[3-(4-bromo-1-pyrazolyl)-2-methyl-1-oxopropyl]amino]-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyl-2-[[3-(4-bromopyrazol-1-yl)-2-methylpropanoyl]amino]-4-methylthiophene-3-carboxylate Traditional Name: 5-acetyl-2-[[3-(4-bromopyrazol-1-yl)-2-methyl-propanoyl]amino]-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C17H20BrN3O4S MolecularWeight: 442.3274

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)C(C)CN2C=C(C=N2)Br

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)C(C)CN2C=C(C=N2)Br

InChI

InChI=1S/C17H20BrN3O4S/c1-5-25-17(24)13-10(3)14(11(4)22)26-16(13)20-15(23)9(2)7-21-8-12(18)6-19-21/h6,8-9H,5,7H2,1-4H3,(H,20,23)