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

Systemtic Name: propan-2-yl 5-aminocarbonyl-2-[2-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)ethanoylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: isopropyl 2-[[2-(4-bromo-3,5-dimethyl-pyrazol-1-yl)acetyl]amino]-5-carbamoyl-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[2-(4-bromo-3,5-dimethyl-1-pyrazolyl)-1-oxoethyl]amino]-5-carbamoyl-4-methyl-3-thiophenecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[[2-(4-bromo-3,5-dimethylpyrazol-1-yl)acetyl]amino]-5-carbamoyl-4-methylthiophene-3-carboxylate Traditional Name: 2-[[2-(4-bromo-3,5-dimethyl-pyrazol-1-yl)acetyl]amino]-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)CN2C(=C(C(=N2)C)Br)C)C(=O)N

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC(C)C)NC(=O)CN2C(=C(C(=N2)C)Br)C)C(=O)N

InChI

InChI=1S/C17H21BrN4O4S/c1-7(2)26-17(25)12-8(3)14(15(19)24)27-16(12)20-11(23)6-22-10(5)13(18)9(4)21-22/h7H,6H2,1-5H3,(H2,19,24)(H,20,23)