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

Systemtic Name: ethyl 2-[[3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)-2-methyl-propanoyl]amino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-2-methyl-propanoyl]amino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[3-(4-bromo-3,5-dimethyl-1-pyrazolyl)-2-methyl-1-oxopropyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methylpropanoyl]amino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[[3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-2-methyl-propanoyl]amino]-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester Formula: C18H24BrN3O3S MolecularWeight: 442.37046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24BrN3O3S/c1-7-25-18(24)14-10(3)13(6)26-17(14)20-16(23)9(2)8-22-12(5)15(19)11(4)21-22/h9H,7-8H2,1-6H3,(H,20,23)