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

Systemtic Name: methyl 5-aminocarbonyl-2-[[1-[(4-bromanylpyrazol-1-yl)methyl]pyrazol-3-yl]carbonylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[1-[(4-bromopyrazol-1-yl)methyl]pyrazole-3-carbonyl]amino]-5-carbamoyl-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[[1-[(4-bromo-1-pyrazolyl)methyl]-3-pyrazolyl]-oxomethyl]amino]-5-carbamoyl-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[1-[(4-bromopyrazol-1-yl)methyl]pyrazole-3-carbonyl]amino]-5-carbamoyl-4-methylthiophene-3-carboxylate Traditional Name: 2-[[1-[(4-bromopyrazol-1-yl)methyl]pyrazole-3-carbonyl]amino]-5-carbamoyl-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C16H15BrN6O4S MolecularWeight: 467.2971

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)C2=NN(C=C2)CN3C=C(C=N3)Br)C(=O)N

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)C2=NN(C=C2)CN3C=C(C=N3)Br)C(=O)N

InChI

InChI=1S/C16H15BrN6O4S/c1-8-11(16(26)27-2)15(28-12(8)13(18)24)20-14(25)10-3-4-22(21-10)7-23-6-9(17)5-19-23/h3-6H,7H2,1-2H3,(H2,18,24)(H,20,25)