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

Systemtic Name: O2-ethyl O4-methyl 5-[3-(4-bromanyl-3-methyl-pyrazol-1-yl)propanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: O2-ethyl O4-methyl 5-[3-(4-bromo-3-methyl-pyrazol-1-yl)propanoylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[3-(4-bromo-3-methyl-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-[3-(4-bromo-3-methylpyrazol-1-yl)propanoylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[3-(4-bromo-3-methyl-pyrazol-1-yl)propanoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid O2-ethyl ester O4-methyl ester Formula: C17H20BrN3O5S MolecularWeight: 458.3268

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)CCN2C=C(C(=N2)C)Br)C(=O)OC)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)CCN2C=C(C(=N2)C)Br)C(=O)OC)C

InChI

InChI=1S/C17H20BrN3O5S/c1-5-26-17(24)14-9(2)13(16(23)25-4)15(27-14)19-12(22)6-7-21-8-11(18)10(3)20-21/h8H,5-7H2,1-4H3,(H,19,22)