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

Systemtic Name: propyl 5-aminocarbonyl-2-[2-(4-bromanylpyrazol-1-yl)propanoylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: propyl 2-[2-(4-bromopyrazol-1-yl)propanoylamino]-5-carbamoyl-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[2-(4-bromo-1-pyrazolyl)-1-oxopropyl]amino]-5-carbamoyl-4-methyl-3-thiophenecarboxylic acid propyl ester IUPAC Name: propyl 2-[2-(4-bromopyrazol-1-yl)propanoylamino]-5-carbamoyl-4-methylthiophene-3-carboxylate Traditional Name: 2-[2-(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)C(C)N2C=C(C=N2)Br

Isomeric SMILES

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

InChI

InChI=1S/C16H19BrN4O4S/c1-4-5-25-16(24)11-8(2)12(13(18)22)26-15(11)20-14(23)9(3)21-7-10(17)6-19-21/h6-7,9H,4-5H2,1-3H3,(H2,18,22)(H,20,23)