(4-oxidanylidene-4-thiophen-2-yl-butyl) 4-(5-methylpyrazol-1-yl)benzoate

Systemtic Name: (4-oxidanylidene-4-thiophen-2-yl-butyl) 4-(5-methylpyrazol-1-yl)benzoate Openeye Name: [4-oxo-4-(2-thienyl)butyl] 4-(5-methylpyrazol-1-yl)benzoate CAS Name: 4-(5-methyl-1-pyrazolyl)benzoic acid (4-oxo-4-thiophen-2-ylbutyl) ester IUPAC Name: (4-oxo-4-thiophen-2-ylbutyl) 4-(5-methylpyrazol-1-yl)benzoate Traditional Name: 4-(5-methylpyrazol-1-yl)benzoic acid [4-keto-4-(2-thienyl)butyl] ester Formula: C19H18N2O3S MolecularWeight: 354.42282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=NN1C2=CC=C(C=C2)C(=O)OCCCC(=O)C3=CC=CS3

Isomeric SMILES

CC1=CC=NN1C2=CC=C(C=C2)C(=O)OCCCC(=O)C3=CC=CS3

InChI

InChI=1S/C19H18N2O3S/c1-14-10-11-20-21(14)16-8-6-15(7-9-16)19(23)24-12-2-4-17(22)18-5-3-13-25-18/h3,5-11,13H,2,4,12H2,1H3