[2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl] 4-(3,5-dimethylpyrazol-1-yl)benzoate

Systemtic Name: [2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl] 4-(3,5-dimethylpyrazol-1-yl)benzoate Openeye Name: [2-(5-bromo-2-thienyl)-2-oxo-ethyl] 4-(3,5-dimethylpyrazol-1-yl)benzoate CAS Name: 4-(3,5-dimethyl-1-pyrazolyl)benzoic acid [2-(5-bromo-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-bromothiophen-2-yl)-2-oxoethyl] 4-(3,5-dimethylpyrazol-1-yl)benzoate Traditional Name: 4-(3,5-dimethylpyrazol-1-yl)benzoic acid [2-(5-bromo-2-thienyl)-2-keto-ethyl] ester Formula: C18H15BrN2O3S MolecularWeight: 419.2923

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=CC=C(C=C2)C(=O)OCC(=O)C3=CC=C(S3)Br)C

Isomeric SMILES

CC1=CC(=NN1C2=CC=C(C=C2)C(=O)OCC(=O)C3=CC=C(S3)Br)C

InChI

InChI=1S/C18H15BrN2O3S/c1-11-9-12(2)21(20-11)14-5-3-13(4-6-14)18(23)24-10-15(22)16-7-8-17(19)25-16/h3-9H,10H2,1-2H3