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

Systemtic Name: ethyl 2-[[4-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]phenyl]carbonylamino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[4-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]benzoyl]amino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[[4-[(4-bromo-3,5-dimethyl-1-pyrazolyl)methyl]phenyl]-oxomethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]benzoyl]amino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[[4-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]benzoyl]amino]-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester Formula: C22H24BrN3O3S MolecularWeight: 490.41326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24BrN3O3S/c1-6-29-22(28)18-12(2)15(5)30-21(18)24-20(27)17-9-7-16(8-10-17)11-26-14(4)19(23)13(3)25-26/h7-10H,6,11H2,1-5H3,(H,24,27)