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

Systemtic Name: propyl 5-aminocarbonyl-2-[2-(4-bromanylpyrazol-1-yl)butanoylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: propyl 2-[2-(4-bromopyrazol-1-yl)butanoylamino]-5-carbamoyl-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[2-(4-bromo-1-pyrazolyl)-1-oxobutyl]amino]-5-carbamoyl-4-methyl-3-thiophenecarboxylic acid propyl ester IUPAC Name: propyl 2-[2-(4-bromopyrazol-1-yl)butanoylamino]-5-carbamoyl-4-methylthiophene-3-carboxylate Traditional Name: 2-[2-(4-bromopyrazol-1-yl)butanoylamino]-5-carbamoyl-4-methyl-thiophene-3-carboxylic acid propyl ester Formula: C17H21BrN4O4S MolecularWeight: 457.34204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21BrN4O4S/c1-4-6-26-17(25)12-9(3)13(14(19)23)27-16(12)21-15(24)11(5-2)22-8-10(18)7-20-22/h7-8,11H,4-6H2,1-3H3,(H2,19,23)(H,21,24)