O2-ethyl O4-propan-2-yl 5-[[1-[(4-bromanylpyrazol-1-yl)methyl]pyrazol-3-yl]carbonylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: O2-ethyl O4-propan-2-yl 5-[[1-[(4-bromanylpyrazol-1-yl)methyl]pyrazol-3-yl]carbonylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: O2-ethyl O4-isopropyl 5-[[1-[(4-bromopyrazol-1-yl)methyl]pyrazole-3-carbonyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[[1-[(4-bromo-1-pyrazolyl)methyl]-3-pyrazolyl]-oxomethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid O2-ethyl ester O4-propan-2-yl ester IUPAC Name: 2-O-ethyl 4-O-propan-2-yl 5-[[1-[(4-bromopyrazol-1-yl)methyl]pyrazole-3-carbonyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[1-[(4-bromopyrazol-1-yl)methyl]pyrazole-3-carbonyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid O2-ethyl ester O4-isopropyl ester Formula: C20H22BrN5O5S MolecularWeight: 524.38818

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=NN(C=C2)CN3C=C(C=N3)Br)C(=O)OC(C)C)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=NN(C=C2)CN3C=C(C=N3)Br)C(=O)OC(C)C)C

InChI

InChI=1S/C20H22BrN5O5S/c1-5-30-20(29)16-12(4)15(19(28)31-11(2)3)18(32-16)23-17(27)14-6-7-25(24-14)10-26-9-13(21)8-22-26/h6-9,11H,5,10H2,1-4H3,(H,23,27)