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

Systemtic Name: propyl 5-aminocarbonyl-2-[3-(4-bromanylpyrazol-1-yl)propanoylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: propyl 2-[3-(4-bromopyrazol-1-yl)propanoylamino]-5-carbamoyl-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[3-(4-bromo-1-pyrazolyl)-1-oxopropyl]amino]-5-carbamoyl-4-methyl-3-thiophenecarboxylic acid propyl ester IUPAC Name: propyl 2-[3-(4-bromopyrazol-1-yl)propanoylamino]-5-carbamoyl-4-methylthiophene-3-carboxylate Traditional Name: 2-[3-(4-bromopyrazol-1-yl)propanoylamino]-5-carbamoyl-4-methyl-thiophene-3-carboxylic acid propyl ester Formula: C16H19BrN4O4S MolecularWeight: 443.31546

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19BrN4O4S/c1-3-6-25-16(24)12-9(2)13(14(18)23)26-15(12)20-11(22)4-5-21-8-10(17)7-19-21/h7-8H,3-6H2,1-2H3,(H2,18,23)(H,20,22)