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

Systemtic Name: propyl 2-[2-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)propanoylamino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylate Openeye Name: propyl 2-[2-(4-bromo-3,5-dimethyl-pyrazol-1-yl)propanoylamino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[2-(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-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)propanoylamino]-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate Traditional Name: 2-[2-(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)C(C)N2C(=C(C(=N2)C)Br)C

Isomeric SMILES

CCCOC(=O)C1=C(SC(=C1C)C(=O)N(C)C)NC(=O)C(C)N2C(=C(C(=N2)C)Br)C

InChI

InChI=1S/C20H27BrN4O4S/c1-8-9-29-20(28)14-10(2)16(19(27)24(6)7)30-18(14)22-17(26)13(5)25-12(4)15(21)11(3)23-25/h13H,8-9H2,1-7H3,(H,22,26)