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

Systemtic Name: O2-ethyl O4-methyl 5-[2-(4-bromanylpyrazol-1-yl)propanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: O2-ethyl O4-methyl 5-[2-(4-bromopyrazol-1-yl)propanoylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[2-(4-bromo-1-pyrazolyl)-1-oxopropyl]amino]-3-methylthiophene-2,4-dicarboxylic acid O2-ethyl ester O4-methyl ester IUPAC Name: 2-O-ethyl 4-O-methyl 5-[2-(4-bromopyrazol-1-yl)propanoylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[2-(4-bromopyrazol-1-yl)propanoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid O2-ethyl ester O4-methyl ester Formula: C16H18BrN3O5S MolecularWeight: 444.30022

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)C(C)N2C=C(C=N2)Br)C(=O)OC)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)C(C)N2C=C(C=N2)Br)C(=O)OC)C

InChI

InChI=1S/C16H18BrN3O5S/c1-5-25-16(23)12-8(2)11(15(22)24-4)14(26-12)19-13(21)9(3)20-7-10(17)6-18-20/h6-7,9H,5H2,1-4H3,(H,19,21)