[2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl] 4-(5-methylpyrazol-1-yl)benzoate

Systemtic Name: [2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl] 4-(5-methylpyrazol-1-yl)benzoate Openeye Name: [2-(5-bromo-2-thienyl)-2-oxo-ethyl] 4-(5-methylpyrazol-1-yl)benzoate CAS Name: 4-(5-methyl-1-pyrazolyl)benzoic acid [2-(5-bromo-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-bromothiophen-2-yl)-2-oxoethyl] 4-(5-methylpyrazol-1-yl)benzoate Traditional Name: 4-(5-methylpyrazol-1-yl)benzoic acid [2-(5-bromo-2-thienyl)-2-keto-ethyl] ester Formula: C17H13BrN2O3S MolecularWeight: 405.26572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13BrN2O3S/c1-11-8-9-19-20(11)13-4-2-12(3-5-13)17(22)23-10-14(21)15-6-7-16(18)24-15/h2-9H,10H2,1H3