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

Systemtic Name: O2-ethyl O4-propyl 5-[[3-(4-bromanylpyrazol-1-yl)-2-methyl-propanoyl]amino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: O2-ethyl O4-propyl 5-[[3-(4-bromopyrazol-1-yl)-2-methyl-propanoyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[3-(4-bromo-1-pyrazolyl)-2-methyl-1-oxopropyl]amino]-3-methylthiophene-2,4-dicarboxylic acid O2-ethyl ester O4-propyl ester IUPAC Name: 2-O-ethyl 4-O-propyl 5-[[3-(4-bromopyrazol-1-yl)-2-methylpropanoyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[3-(4-bromopyrazol-1-yl)-2-methyl-propanoyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid O2-ethyl ester O4-propyl ester Formula: C19H24BrN3O5S MolecularWeight: 486.37996

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24BrN3O5S/c1-5-7-28-18(25)14-12(4)15(19(26)27-6-2)29-17(14)22-16(24)11(3)9-23-10-13(20)8-21-23/h8,10-11H,5-7,9H2,1-4H3,(H,22,24)