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

Systemtic Name: methyl 2-[[3-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]phenyl]carbonylamino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[3-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]benzoyl]amino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[[3-[(4-bromo-3,5-dimethyl-1-pyrazolyl)methyl]phenyl]-oxomethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]benzoyl]amino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[[3-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]benzoyl]amino]-4,5-dimethyl-thiophene-3-carboxylic acid methyl ester Formula: C21H22BrN3O3S MolecularWeight: 476.38668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)C2=CC(=CC=C2)CN3C(=C(C(=N3)C)Br)C)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)C2=CC(=CC=C2)CN3C(=C(C(=N3)C)Br)C)C

InChI

InChI=1S/C21H22BrN3O3S/c1-11-14(4)29-20(17(11)21(27)28-5)23-19(26)16-8-6-7-15(9-16)10-25-13(3)18(22)12(2)24-25/h6-9H,10H2,1-5H3,(H,23,26)