ethyl 5-[3-(1-benzothiophen-3-ylcarbonylamino)phenyl]-1-(3-methylphenyl)pyrazole-3-carboxylate

Systemtic Name: ethyl 5-[3-(1-benzothiophen-3-ylcarbonylamino)phenyl]-1-(3-methylphenyl)pyrazole-3-carboxylate Openeye Name: ethyl 5-[3-(benzothiophene-3-carbonylamino)phenyl]-1-(m-tolyl)pyrazole-3-carboxylate CAS Name: 5-[3-[[1-benzothiophen-3-yl(oxo)methyl]amino]phenyl]-1-(3-methylphenyl)-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[3-(1-benzothiophene-3-carbonylamino)phenyl]-1-(3-methylphenyl)pyrazole-3-carboxylate Traditional Name: 5-[3-(benzothiophene-3-carbonylamino)phenyl]-1-(m-tolyl)pyrazole-3-carboxylic acid ethyl ester Formula: C28H23N3O3S MolecularWeight: 481.56552

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=C1)C2=CC(=CC=C2)NC(=O)C3=CSC4=CC=CC=C43)C5=CC=CC(=C5)C

Isomeric SMILES

CCOC(=O)C1=NN(C(=C1)C2=CC(=CC=C2)NC(=O)C3=CSC4=CC=CC=C43)C5=CC=CC(=C5)C

InChI

InChI=1S/C28H23N3O3S/c1-3-34-28(33)24-16-25(31(30-24)21-11-6-8-18(2)14-21)19-9-7-10-20(15-19)29-27(32)23-17-35-26-13-5-4-12-22(23)26/h4-17H,3H2,1-2H3,(H,29,32)