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

Systemtic Name: ethyl 2-[[1-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]pyrazol-3-yl]carbonylamino]-5-ethanoyl-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 5-acetyl-2-[[1-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]pyrazole-3-carbonyl]amino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-acetyl-2-[[[1-[(4-bromo-3,5-dimethyl-1-pyrazolyl)methyl]-3-pyrazolyl]-oxomethyl]amino]-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyl-2-[[1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]pyrazole-3-carbonyl]amino]-4-methylthiophene-3-carboxylate Traditional Name: 5-acetyl-2-[[1-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]pyrazole-3-carbonyl]amino]-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C20H22BrN5O4S MolecularWeight: 508.38878

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)C2=NN(C=C2)CN3C(=C(C(=N3)C)Br)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)C2=NN(C=C2)CN3C(=C(C(=N3)C)Br)C

InChI

InChI=1S/C20H22BrN5O4S/c1-6-30-20(29)15-10(2)17(13(5)27)31-19(15)22-18(28)14-7-8-25(24-14)9-26-12(4)16(21)11(3)23-26/h7-8H,6,9H2,1-5H3,(H,22,28)