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

Systemtic Name: O2-ethyl O4-propyl 5-[2-(4-bromanyl-5-methyl-pyrazol-1-yl)propanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: O2-ethyl O4-propyl 5-[2-(4-bromo-5-methyl-pyrazol-1-yl)propanoylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[2-(4-bromo-5-methyl-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-5-methylpyrazol-1-yl)propanoylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[2-(4-bromo-5-methyl-pyrazol-1-yl)propanoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid O2-ethyl ester O4-propyl ester Formula: C19H24BrN3O5S MolecularWeight: 486.37996

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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)Br)C

Isomeric SMILES

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

InChI

InChI=1S/C19H24BrN3O5S/c1-6-8-28-18(25)14-10(3)15(19(26)27-7-2)29-17(14)22-16(24)12(5)23-11(4)13(20)9-21-23/h9,12H,6-8H2,1-5H3,(H,22,24)