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

Systemtic Name: propan-2-yl 5-aminocarbonyl-2-[[1-[(4-bromanylphenoxy)methyl]pyrazol-3-yl]carbonylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: isopropyl 2-[[1-[(4-bromophenoxy)methyl]pyrazole-3-carbonyl]amino]-5-carbamoyl-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[[1-[(4-bromophenoxy)methyl]-3-pyrazolyl]-oxomethyl]amino]-5-carbamoyl-4-methyl-3-thiophenecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[[1-[(4-bromophenoxy)methyl]pyrazole-3-carbonyl]amino]-5-carbamoyl-4-methylthiophene-3-carboxylate Traditional Name: 2-[[1-[(4-bromophenoxy)methyl]pyrazole-3-carbonyl]amino]-5-carbamoyl-4-methyl-thiophene-3-carboxylic acid isopropyl ester Formula: C21H21BrN4O5S MolecularWeight: 521.38424

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21BrN4O5S/c1-11(2)31-21(29)16-12(3)17(18(23)27)32-20(16)24-19(28)15-8-9-26(25-15)10-30-14-6-4-13(22)5-7-14/h4-9,11H,10H2,1-3H3,(H2,23,27)(H,24,28)