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

Systemtic Name: methyl 5-aminocarbonyl-2-[[1-[(2-bromanyl-4-chloranyl-phenoxy)methyl]pyrazol-3-yl]carbonylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[1-[(2-bromo-4-chloro-phenoxy)methyl]pyrazole-3-carbonyl]amino]-5-carbamoyl-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[[1-[(2-bromo-4-chlorophenoxy)methyl]-3-pyrazolyl]-oxomethyl]amino]-5-carbamoyl-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[1-[(2-bromo-4-chlorophenoxy)methyl]pyrazole-3-carbonyl]amino]-5-carbamoyl-4-methylthiophene-3-carboxylate Traditional Name: 2-[[1-[(2-bromo-4-chloro-phenoxy)methyl]pyrazole-3-carbonyl]amino]-5-carbamoyl-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C19H16BrClN4O5S MolecularWeight: 527.77614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)C2=NN(C=C2)COC3=C(C=C(C=C3)Cl)Br)C(=O)N

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)C2=NN(C=C2)COC3=C(C=C(C=C3)Cl)Br)C(=O)N

InChI

InChI=1S/C19H16BrClN4O5S/c1-9-14(19(28)29-2)18(31-15(9)16(22)26)23-17(27)12-5-6-25(24-12)8-30-13-4-3-10(21)7-11(13)20/h3-7H,8H2,1-2H3,(H2,22,26)(H,23,27)