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

Systemtic Name: propan-2-yl 5-aminocarbonyl-2-[3-(4-bromanyl-5-methyl-pyrazol-1-yl)propanoylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: isopropyl 2-[3-(4-bromo-5-methyl-pyrazol-1-yl)propanoylamino]-5-carbamoyl-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[3-(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-[3-(4-bromo-5-methylpyrazol-1-yl)propanoylamino]-5-carbamoyl-4-methylthiophene-3-carboxylate Traditional Name: 2-[3-(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)CCN2C(=C(C=N2)Br)C)C(=O)N

Isomeric SMILES

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

InChI

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