ethyl 4-[[1-(4-bromophenyl)-3-methyl-thieno[2,3-c]pyrazol-5-yl]carbonylamino]benzoate

Systemtic Name: ethyl 4-[[1-(4-bromophenyl)-3-methyl-thieno[2,3-c]pyrazol-5-yl]carbonylamino]benzoate Openeye Name: ethyl 4-[[1-(4-bromophenyl)-3-methyl-thieno[2,3-c]pyrazole-5-carbonyl]amino]benzoate CAS Name: 4-[[[1-(4-bromophenyl)-3-methyl-5-thieno[2,3-c]pyrazolyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[1-(4-bromophenyl)-3-methylthieno[2,3-c]pyrazole-5-carbonyl]amino]benzoate Traditional Name: 4-[[1-(4-bromophenyl)-3-methyl-thieno[2,3-c]pyrazole-5-carbonyl]amino]benzoic acid ethyl ester Formula: C22H18BrN3O3S MolecularWeight: 484.36562

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC3=C(S2)N(N=C3C)C4=CC=C(C=C4)Br

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC3=C(S2)N(N=C3C)C4=CC=C(C=C4)Br

InChI

InChI=1S/C22H18BrN3O3S/c1-3-29-22(28)14-4-8-16(9-5-14)24-20(27)19-12-18-13(2)25-26(21(18)30-19)17-10-6-15(23)7-11-17/h4-12H,3H2,1-2H3,(H,24,27)