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

Systemtic Name: methyl 2-[2-(4-bromanyl-3-methyl-pyrazol-1-yl)propanoylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[2-(4-bromo-3-methyl-pyrazol-1-yl)propanoylamino]-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[2-(4-bromo-3-methyl-1-pyrazolyl)-1-oxopropyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[2-(4-bromo-3-methylpyrazol-1-yl)propanoylamino]-5-methylthiophene-3-carboxylate Traditional Name: 2-[2-(4-bromo-3-methyl-pyrazol-1-yl)propanoylamino]-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C14H16BrN3O3S MolecularWeight: 386.26414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16BrN3O3S/c1-7-5-10(14(20)21-4)13(22-7)16-12(19)9(3)18-6-11(15)8(2)17-18/h5-6,9H,1-4H3,(H,16,19)