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

Systemtic Name: dimethyl 5-[[1-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]pyrazol-3-yl]carbonylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-[[1-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]pyrazole-3-carbonyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[[1-[(4-bromo-3,5-dimethyl-1-pyrazolyl)methyl]-3-pyrazolyl]-oxomethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]pyrazole-3-carbonyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[1-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]pyrazole-3-carbonyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C19H20BrN5O5S MolecularWeight: 510.3616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20BrN5O5S/c1-9-13(18(27)29-4)17(31-15(9)19(28)30-5)21-16(26)12-6-7-24(23-12)8-25-11(3)14(20)10(2)22-25/h6-7H,8H2,1-5H3,(H,21,26)