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

Systemtic Name: methyl 5-aminocarbonyl-2-[2-(4-bromanylpyrazol-1-yl)ethanoylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[2-(4-bromopyrazol-1-yl)acetyl]amino]-5-carbamoyl-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[2-(4-bromo-1-pyrazolyl)-1-oxoethyl]amino]-5-carbamoyl-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(4-bromopyrazol-1-yl)acetyl]amino]-5-carbamoyl-4-methylthiophene-3-carboxylate Traditional Name: 2-[[2-(4-bromopyrazol-1-yl)acetyl]amino]-5-carbamoyl-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C13H13BrN4O4S MolecularWeight: 401.23572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13BrN4O4S/c1-6-9(13(21)22-2)12(23-10(6)11(15)20)17-8(19)5-18-4-7(14)3-16-18/h3-4H,5H2,1-2H3,(H2,15,20)(H,17,19)