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

Systemtic Name: propan-2-yl 5-aminocarbonyl-2-[3-(4-bromanylpyrazol-1-yl)propanoylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 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 isopropyl ester Formula: C16H19BrN4O4S MolecularWeight: 443.31546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC(C)C)NC(=O)CCN2C=C(C=N2)Br)C(=O)N

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC(C)C)NC(=O)CCN2C=C(C=N2)Br)C(=O)N

InChI

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