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

Systemtic Name: methyl 2-[2-(4-bromanylpyrazol-1-yl)propanoylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[2-(4-bromopyrazol-1-yl)propanoylamino]-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[2-(4-bromo-1-pyrazolyl)-1-oxopropyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[2-(4-bromopyrazol-1-yl)propanoylamino]-5-methylthiophene-3-carboxylate Traditional Name: 2-[2-(4-bromopyrazol-1-yl)propanoylamino]-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C13H14BrN3O3S MolecularWeight: 372.23756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=O)C(C)N2C=C(C=N2)Br)C(=O)OC

Isomeric SMILES

CC1=CC(=C(S1)NC(=O)C(C)N2C=C(C=N2)Br)C(=O)OC

InChI

InChI=1S/C13H14BrN3O3S/c1-7-4-10(13(19)20-3)12(21-7)16-11(18)8(2)17-6-9(14)5-15-17/h4-6,8H,1-3H3,(H,16,18)