(4-oxidanylidene-4-thiophen-2-yl-butyl) 4-methoxy-1-phenyl-pyrazole-3-carboxylate

Systemtic Name: (4-oxidanylidene-4-thiophen-2-yl-butyl) 4-methoxy-1-phenyl-pyrazole-3-carboxylate Openeye Name: [4-oxo-4-(2-thienyl)butyl] 4-methoxy-1-phenyl-pyrazole-3-carboxylate CAS Name: 4-methoxy-1-phenyl-3-pyrazolecarboxylic acid (4-oxo-4-thiophen-2-ylbutyl) ester IUPAC Name: (4-oxo-4-thiophen-2-ylbutyl) 4-methoxy-1-phenylpyrazole-3-carboxylate Traditional Name: 4-methoxy-1-phenyl-pyrazole-3-carboxylic acid [4-keto-4-(2-thienyl)butyl] ester Formula: C19H18N2O4S MolecularWeight: 370.42222

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CN(N=C1C(=O)OCCCC(=O)C2=CC=CS2)C3=CC=CC=C3

Isomeric SMILES

COC1=CN(N=C1C(=O)OCCCC(=O)C2=CC=CS2)C3=CC=CC=C3

InChI

InChI=1S/C19H18N2O4S/c1-24-16-13-21(14-7-3-2-4-8-14)20-18(16)19(23)25-11-5-9-15(22)17-10-6-12-26-17/h2-4,6-8,10,12-13H,5,9,11H2,1H3