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

Systemtic Name: O2-ethyl O4-methyl 5-[2-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)propanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: O2-ethyl O4-methyl 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-methyl ester IUPAC Name: 2-O-ethyl 4-O-methyl 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-methyl ester Formula: C18H22BrN3O5S MolecularWeight: 472.35338

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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)C)Br)C)C(=O)OC)C

Isomeric SMILES

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

InChI

InChI=1S/C18H22BrN3O5S/c1-7-27-18(25)14-8(2)12(17(24)26-6)16(28-14)20-15(23)11(5)22-10(4)13(19)9(3)21-22/h11H,7H2,1-6H3,(H,20,23)