methyl 2-[2-(4-bromanylpyrazol-1-yl)ethanoylamino]-5-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[2-(4-bromanylpyrazol-1-yl)ethanoylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[2-(4-bromopyrazol-1-yl)acetyl]amino]-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[2-(4-bromo-1-pyrazolyl)-1-oxoethyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(4-bromopyrazol-1-yl)acetyl]amino]-5-methylthiophene-3-carboxylate Traditional Name: 2-[[2-(4-bromopyrazol-1-yl)acetyl]amino]-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C12H12BrN3O3S MolecularWeight: 358.21098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=O)CN2C=C(C=N2)Br)C(=O)OC

Isomeric SMILES

CC1=CC(=C(S1)NC(=O)CN2C=C(C=N2)Br)C(=O)OC

InChI

InChI=1S/C12H12BrN3O3S/c1-7-3-9(12(18)19-2)11(20-7)15-10(17)6-16-5-8(13)4-14-16/h3-5H,6H2,1-2H3,(H,15,17)