O2-ethyl O4-propan-2-yl 5-[[1-[(4-bromanylphenoxy)methyl]pyrazol-3-yl]carbonylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: O2-ethyl O4-propan-2-yl 5-[[1-[(4-bromanylphenoxy)methyl]pyrazol-3-yl]carbonylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: O2-ethyl O4-isopropyl 5-[[1-[(4-bromophenoxy)methyl]pyrazole-3-carbonyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[[1-[(4-bromophenoxy)methyl]-3-pyrazolyl]-oxomethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid O2-ethyl ester O4-propan-2-yl ester IUPAC Name: 2-O-ethyl 4-O-propan-2-yl 5-[[1-[(4-bromophenoxy)methyl]pyrazole-3-carbonyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[1-[(4-bromophenoxy)methyl]pyrazole-3-carbonyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid O2-ethyl ester O4-isopropyl ester Formula: C23H24BrN3O6S MolecularWeight: 550.42216

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=NN(C=C2)COC3=CC=C(C=C3)Br)C(=O)OC(C)C)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=NN(C=C2)COC3=CC=C(C=C3)Br)C(=O)OC(C)C)C

InChI

InChI=1S/C23H24BrN3O6S/c1-5-31-23(30)19-14(4)18(22(29)33-13(2)3)21(34-19)25-20(28)17-10-11-27(26-17)12-32-16-8-6-15(24)7-9-16/h6-11,13H,5,12H2,1-4H3,(H,25,28)