dimethyl 5-[[3-(4-bromanylpyrazol-1-yl)-2-methyl-propanoyl]amino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-[[3-(4-bromanylpyrazol-1-yl)-2-methyl-propanoyl]amino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: dimethyl 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 dimethyl ester IUPAC Name: dimethyl 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 dimethyl ester Formula: C16H18BrN3O5S MolecularWeight: 444.30022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)C(C)CN2C=C(C=N2)Br)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)C(C)CN2C=C(C=N2)Br)C(=O)OC

InChI

InChI=1S/C16H18BrN3O5S/c1-8(6-20-7-10(17)5-18-20)13(21)19-14-11(15(22)24-3)9(2)12(26-14)16(23)25-4/h5,7-8H,6H2,1-4H3,(H,19,21)