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

Systemtic Name: propan-2-yl 5-aminocarbonyl-2-[2-(4-bromanyl-5-methyl-pyrazol-1-yl)propanoylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: isopropyl 2-[2-(4-bromo-5-methyl-pyrazol-1-yl)propanoylamino]-5-carbamoyl-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[2-(4-bromo-5-methyl-1-pyrazolyl)-1-oxopropyl]amino]-5-carbamoyl-4-methyl-3-thiophenecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[2-(4-bromo-5-methylpyrazol-1-yl)propanoylamino]-5-carbamoyl-4-methylthiophene-3-carboxylate Traditional Name: 2-[2-(4-bromo-5-methyl-pyrazol-1-yl)propanoylamino]-5-carbamoyl-4-methyl-thiophene-3-carboxylic acid isopropyl ester Formula: C17H21BrN4O4S MolecularWeight: 457.34204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC(C)C)NC(=O)C(C)N2C(=C(C=N2)Br)C)C(=O)N

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC(C)C)NC(=O)C(C)N2C(=C(C=N2)Br)C)C(=O)N

InChI

InChI=1S/C17H21BrN4O4S/c1-7(2)26-17(25)12-8(3)13(14(19)23)27-16(12)21-15(24)10(5)22-9(4)11(18)6-20-22/h6-7,10H,1-5H3,(H2,19,23)(H,21,24)