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

Systemtic Name: O2-methyl O4-propyl 5-[2-(4-bromanyl-5-methyl-pyrazol-1-yl)ethanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: O2-methyl O4-propyl 5-[[2-(4-bromo-5-methyl-pyrazol-1-yl)acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[2-(4-bromo-5-methyl-1-pyrazolyl)-1-oxoethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid O2-methyl ester O4-propyl ester IUPAC Name: 2-O-methyl 4-O-propyl 5-[[2-(4-bromo-5-methylpyrazol-1-yl)acetyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[2-(4-bromo-5-methyl-pyrazol-1-yl)acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid O2-methyl ester O4-propyl ester Formula: C17H20BrN3O5S MolecularWeight: 458.3268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20BrN3O5S/c1-5-6-26-16(23)13-9(2)14(17(24)25-4)27-15(13)20-12(22)8-21-10(3)11(18)7-19-21/h7H,5-6,8H2,1-4H3,(H,20,22)