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

Systemtic Name: methyl 5-aminocarbonyl-2-[[3-(4-bromanylpyrazol-1-yl)-2-methyl-propanoyl]amino]-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[3-(4-bromopyrazol-1-yl)-2-methyl-propanoyl]amino]-5-carbamoyl-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[3-(4-bromo-1-pyrazolyl)-2-methyl-1-oxopropyl]amino]-5-carbamoyl-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[3-(4-bromopyrazol-1-yl)-2-methylpropanoyl]amino]-5-carbamoyl-4-methylthiophene-3-carboxylate Traditional Name: 2-[[3-(4-bromopyrazol-1-yl)-2-methyl-propanoyl]amino]-5-carbamoyl-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C15H17BrN4O4S MolecularWeight: 429.28888

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17BrN4O4S/c1-7(5-20-6-9(16)4-18-20)13(22)19-14-10(15(23)24-3)8(2)11(25-14)12(17)21/h4,6-7H,5H2,1-3H3,(H2,17,21)(H,19,22)