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

Systemtic Name: propyl 2-[3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)propanoylamino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylate Openeye Name: propyl 2-[3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)propanoylamino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[3-(4-bromo-3,5-dimethyl-1-pyrazolyl)-1-oxopropyl]amino]-5-[dimethylamino(oxo)methyl]-4-methyl-3-thiophenecarboxylic acid propyl ester IUPAC Name: propyl 2-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propanoylamino]-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate Traditional Name: 2-[3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)propanoylamino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylic acid propyl ester Formula: C20H27BrN4O4S MolecularWeight: 499.42178

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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)C)Br)C

Isomeric SMILES

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

InChI

InChI=1S/C20H27BrN4O4S/c1-7-10-29-20(28)15-11(2)17(19(27)24(5)6)30-18(15)22-14(26)8-9-25-13(4)16(21)12(3)23-25/h7-10H2,1-6H3,(H,22,26)