O2-ethyl O4-propyl 5-[2-(4-bromanylpyrazol-1-yl)ethanoylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: O2-ethyl O4-propyl 5-[2-(4-bromanylpyrazol-1-yl)ethanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: O2-ethyl O4-propyl 5-[[2-(4-bromopyrazol-1-yl)acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[2-(4-bromo-1-pyrazolyl)-1-oxoethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid O2-ethyl ester O4-propyl ester IUPAC Name: 2-O-ethyl 4-O-propyl 5-[[2-(4-bromopyrazol-1-yl)acetyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[2-(4-bromopyrazol-1-yl)acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid O2-ethyl ester O4-propyl ester Formula: C17H20BrN3O5S MolecularWeight: 458.3268

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CN2C=C(C=N2)Br

Isomeric SMILES

CCCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CN2C=C(C=N2)Br

InChI

InChI=1S/C17H20BrN3O5S/c1-4-6-26-16(23)13-10(3)14(17(24)25-5-2)27-15(13)20-12(22)9-21-8-11(18)7-19-21/h7-8H,4-6,9H2,1-3H3,(H,20,22)