O2-ethyl O4-propyl 5-[2-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)propanoylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: O2-ethyl O4-propyl 5-[2-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)propanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: O2-ethyl O4-propyl 5-[2-(4-bromo-3,5-dimethyl-pyrazol-1-yl)propanoylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[2-(4-bromo-3,5-dimethyl-1-pyrazolyl)-1-oxopropyl]amino]-3-methylthiophene-2,4-dicarboxylic acid O2-ethyl ester O4-propyl ester IUPAC Name: 2-O-ethyl 4-O-propyl 5-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)propanoylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[2-(4-bromo-3,5-dimethyl-pyrazol-1-yl)propanoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid O2-ethyl ester O4-propyl ester Formula: C20H26BrN3O5S MolecularWeight: 500.40654

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)C(C)N2C(=C(C(=N2)C)Br)C

Isomeric SMILES

CCCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)C(C)N2C(=C(C(=N2)C)Br)C

InChI

InChI=1S/C20H26BrN3O5S/c1-7-9-29-19(26)14-10(3)16(20(27)28-8-2)30-18(14)22-17(25)13(6)24-12(5)15(21)11(4)23-24/h13H,7-9H2,1-6H3,(H,22,25)