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

Systemtic Name: propyl 2-[3-(4-bromanylpyrazol-1-yl)propanoylamino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylate Openeye Name: propyl 2-[3-(4-bromopyrazol-1-yl)propanoylamino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[3-(4-bromo-1-pyrazolyl)-1-oxopropyl]amino]-5-[dimethylamino(oxo)methyl]-4-methyl-3-thiophenecarboxylic acid propyl ester IUPAC Name: propyl 2-[3-(4-bromopyrazol-1-yl)propanoylamino]-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate Traditional Name: 2-[3-(4-bromopyrazol-1-yl)propanoylamino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylic acid propyl ester Formula: C18H23BrN4O4S MolecularWeight: 471.36862

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(SC(=C1C)C(=O)N(C)C)NC(=O)CCN2C=C(C=N2)Br

Isomeric SMILES

CCCOC(=O)C1=C(SC(=C1C)C(=O)N(C)C)NC(=O)CCN2C=C(C=N2)Br

InChI

InChI=1S/C18H23BrN4O4S/c1-5-8-27-18(26)14-11(2)15(17(25)22(3)4)28-16(14)21-13(24)6-7-23-10-12(19)9-20-23/h9-10H,5-8H2,1-4H3,(H,21,24)