propyl 5-aminocarbonyl-2-[[1-[(4-bromanyl-2-chloranyl-phenoxy)methyl]pyrazol-3-yl]carbonylamino]-4-methyl-thiophene-3-carboxylate

Systemtic Name: propyl 5-aminocarbonyl-2-[[1-[(4-bromanyl-2-chloranyl-phenoxy)methyl]pyrazol-3-yl]carbonylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: propyl 2-[[1-[(4-bromo-2-chloro-phenoxy)methyl]pyrazole-3-carbonyl]amino]-5-carbamoyl-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[[1-[(4-bromo-2-chlorophenoxy)methyl]-3-pyrazolyl]-oxomethyl]amino]-5-carbamoyl-4-methyl-3-thiophenecarboxylic acid propyl ester IUPAC Name: propyl 2-[[1-[(4-bromo-2-chlorophenoxy)methyl]pyrazole-3-carbonyl]amino]-5-carbamoyl-4-methylthiophene-3-carboxylate Traditional Name: 2-[[1-[(4-bromo-2-chloro-phenoxy)methyl]pyrazole-3-carbonyl]amino]-5-carbamoyl-4-methyl-thiophene-3-carboxylic acid propyl ester Formula: C21H20BrClN4O5S MolecularWeight: 555.8293

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(SC(=C1C)C(=O)N)NC(=O)C2=NN(C=C2)COC3=C(C=C(C=C3)Br)Cl

Isomeric SMILES

CCCOC(=O)C1=C(SC(=C1C)C(=O)N)NC(=O)C2=NN(C=C2)COC3=C(C=C(C=C3)Br)Cl

InChI

InChI=1S/C21H20BrClN4O5S/c1-3-8-31-21(30)16-11(2)17(18(24)28)33-20(16)25-19(29)14-6-7-27(26-14)10-32-15-5-4-12(22)9-13(15)23/h4-7,9H,3,8,10H2,1-2H3,(H2,24,28)(H,25,29)