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

Systemtic Name: O2-methyl O4-propyl 5-[[3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)-2-methyl-propanoyl]amino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: O2-methyl O4-propyl 5-[[3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-2-methyl-propanoyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[3-(4-bromo-3,5-dimethyl-1-pyrazolyl)-2-methyl-1-oxopropyl]amino]-3-methylthiophene-2,4-dicarboxylic acid O2-methyl ester O4-propyl ester IUPAC Name: 2-O-methyl 4-O-propyl 5-[[3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methylpropanoyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-2-methyl-propanoyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid O2-methyl ester O4-propyl ester Formula: C20H26BrN3O5S MolecularWeight: 500.40654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26BrN3O5S/c1-7-8-29-19(26)14-11(3)16(20(27)28-6)30-18(14)22-17(25)10(2)9-24-13(5)15(21)12(4)23-24/h10H,7-9H2,1-6H3,(H,22,25)